SCHEMBL30350193

SCHEMBL30350193

Nc1nc2ncc(CNC3C=CC(C(=O)N[C@@H](CCC(=O)OC=O)C(=O)O)CC3)nc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.51
▸ TYMS P04818 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.44
▸ NOS1 P29475 3/20 0.42
▸ DHFR P00374 5/20 0.38
▸ ATIC P31939 3/20 0.38
▸ GART P22102 2/20 0.38

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
SCHEMBL27519163 1.00 AKR1B1 (0.51) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30447066 0.92 AKR1B1 (0.53) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL27812907 0.90 TYMS (0.62) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL27925895 0.85 AKR1B1 (0.46) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL27925894 0.84 AKR1B1 (0.47) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30584152 0.84 AKR1B1 (0.47) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28205287 0.83 AKR1B1 (0.48) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL27529220 0.83 AKR1B1 (0.47) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL29575293 0.79 TYMS (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL5683350 0.79 TYMS (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415837-A1 PHARMACOLOGIC MODULATION OF 5-FLUOROURACIL BY FOLINIC ACID AND VITAMIN B6 FOR THE TREATMENT OF PATIENTS WITH CARCINOMA MACHOVER DAVID (FR) 2024-12-19 — — US disclosed
EP-4419107-A1 PHARMACOLOGIC MODULATION OF 5-FLUOROURACIL BY FOLINIC ACID AND VITAMIN B6 FOR THE TREATMENT OF PATIENTS WITH CARCINOMA Machover, David (FR) 2024-08-28 — — EP disclosed
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
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