SCHEMBL17097094

SCHEMBL17097094

CN1C(CNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)=CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTHFD1 P11586 3/20 0.63
▸ DHFR P00374 4/20 0.59
▸ TYMS P04818 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ SOST Q9BQB4 1/20 0.56
▸ MTHFD2 P13995 3/20 0.55
▸ GART P22102 4/20 0.54
▸ ATIC P31939 4/20 0.54
▸ ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL2166341 1.00 MTHFD1 (0.63) MTHFD1DHFRTYMSKDM4EMEN1
SCHEMBL16085830 0.93 MTHFD1 (0.55) MTHFD1DHFRTYMSKDM4EMEN1
SCHEMBL26045339 0.89 TYMS (0.55) MTHFD1DHFRTYMSKDM4EMEN1
Glutathione SCHEMBL16097636 0.82 MTHFD1 (0.45) MTHFD1DHFRTYMSKDM4EMEN1
SCHEMBL28489706 0.81 SOST (0.64) MTHFD1DHFRTYMSKDM4EMEN1
SCHEMBL4616964 0.80 MTHFD1 (0.47) MTHFD1DHFRTYMSSOSTMTHFD2
Levomefolic Acid SCHEMBL1882912 0.78 MTHFD1 (0.86) MTHFD1DHFRTYMSSOSTMTHFD2
Levomefolic Acid SCHEMBL4727836 0.78 MTHFD1 (0.86) MTHFD1DHFRTYMSSOSTMTHFD2
Levomefolic Acid SCHEMBL2693607 0.78 MTHFD1 (0.86) MTHFD1DHFRTYMSSOSTMTHFD2
Levomefolic Acid SCHEMBL7678398 0.78 MTHFD1 (0.86) MTHFD1DHFRTYMSSOSTMTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175614-A1 STABLE LIQUID FORMULATIONS COMPRISING (6S)-5-METHYLTETRAHYDROFOLIC ACID OR SALTS THEREOF MERCK PATENT GMBH (DE) 2024-08-29 — — WO disclosed
US-20150269865-A1 SYSTEMS AND METHODS FOR PERSONALIZED NUTRIMERS VOLACH DOTAN (IL) 2015-09-24 — — US disclosed
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