SCHEMBL2906514

SCHEMBL2906514

Nc1nc2ncc(CNC3=CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC3)nc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.52
▸ DHFR P00374 5/20 0.44
▸ GART P22102 4/20 0.44
▸ ATIC P31939 4/20 0.44
▸ NOS1 P29475 1/20 0.40
▸ FPR2 P25090 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15531651 0.89 AKR1B1 (0.48) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL3980437 0.84 AKR1B1 (0.47) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL2905540 0.84 AKR1B1 (0.50) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL10891557 0.84 AKR1B1 (0.43) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL15263068 0.83 AKR1B1 (0.49) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL5665622 0.83 TYMS (0.66) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL29619286 0.83 TYMS (0.66) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27812907 0.79 TYMS (0.62) TYMSKDM4EMEN1ALDH1A1POLB
Folic Acid SCHEMBL8897352 0.77 TYMS (0.80) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL3195061 0.77 MTHFD1 (0.44) DHFRGARTATIC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066865-A1 PHARMACOLOGIC MODULATION OF 5-FLUOROURACIL BY FOLINIC ACID AND VITAMIN B6 FOR THE TREATMENT OF PATIENTS WITH CARCINOMA MACHOVER DAVID (FR) 2023-04-27 — — WO disclosed
CN-113286589-A Methods and pharmaceutical compositions for treating cancer 大卫·马舒瓦尔 2021-08-20 — — CN disclosed
EP-2804609-B1 TETRAHYDROFOLATES IN COMBINATION WITH EGFR-INHIBITORS ISOFOL MEDICAL AB (SE) 2018-06-13 — — EP disclosed
US-9675617-B2 Tetrahydrofolates in combination with EGFR-inhibitors ISOFOL MEDICAL AB (SE) 2017-06-13 — — US disclosed
US-9585888-B2 Reduction of toxicity of multi-targeting antifolates ISOFOL MEDICAL AB (SE) 2017-03-07 — — US disclosed
US-20150328218-A1 Reduction Of Toxicity Of Multi-Targeting Antifolates ISOFOL MEDICAL AB (SE) 2015-11-19 — — US disclosed
US-9138435-B2 Reduction of toxicity of multi-targeting antifolates ISOFOL MEDICAL AB (SE) 2015-09-22 — — US disclosed
EP-2804609-A1 TETRAHYDROFOLATES IN COMBINATION WITH EGFR-INHIBITORS Isofol Medical AB (SE) 2014-11-26 — — EP disclosed
EP-2804608-A1 ANTI-TUMOR ACTIVITY OF REDUCED FOLATES LIKE METHYLENE-TETRAHYDROFOLATE Isofol Medical AB (SE) 2014-11-26 — — EP disclosed
WO-2013107882-A1 ANTI-TUMOR ACTIVITY OF REDUCED FOLATES LIKE METHYLENE-TETRAHYDROFOLATE ISOFOL MEDICAL AB (SE) 2013-07-25 — — WO disclosed
EP-1059354-A2 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby Ceres Incorporated (US) 2000-12-13 — — EP disclosed
US-6159506-A Method for self-regulating stress-reduction using folic acid enriched dietary supplement compositions NEUROGENESIS, INC. 2000-12-12 — — US disclosed
US-6121195-A STIMULATING CARBON FIXATION AND INCREASING THE GROWTH OF PLANTS BY ENHANCING THE AVAILABILITY OF C1-TETRAHYDROFOLATE IN THE LEAVES OF A PLANT NONOMURA ARTHUR M (US) 2000-09-19 — — US disclosed
EP-0813510-A4 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 2000-07-26 — — EP disclosed
US-5922361-A INCREASING LEVEL OF OPOIDS AND NEUROTRANSMITTER PRECURSORS TO ENABLE THE HUMAN BODY TO QUELL PERTURBATIONS TO ITS EQUILIBRIUM DUE TO STRESSFUL ASSUALTS NEUROGENESIS, INC. 1999-07-13 — — US disclosed
US-5846908-A Methods and compositions for enhancing plant growth with p-amino- or p-nitro-benzoic acids NONOMURA ARTHUR M (US) 1998-12-08 — — US disclosed
EP-0813510-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA, Arthur M. (US) 1997-12-29 — — EP disclosed
WO-1996027572-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 1996-09-12 — — WO disclosed
US-5153309-A PROCESS OF MAKING TETRAHYDROPTEROYLPOLY-L-GLUTAMIC ACID DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-10-06 — — US disclosed
WO-1992002241-A1 A PROCESS OF MAKING TETRAHYDROPTEROYLPOLY-L-GLUTAMIC ACID DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1992-02-20 — — WO disclosed
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