SCHEMBL9647525

SCHEMBL9647525

Cc1ccc(Cc2c[nH]cn2)c(O)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.34
▸ NOTUM Q6P988 2/20 0.33
▸ LDHA P00338 4/20 0.33
▸ LDHB P07195 4/20 0.33
▸ CYP3A4 P08684 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ME2 P23368 1/20 0.30
▸ ME1 P48163 1/20 0.30
▸ ME3 Q16798 1/20 0.30

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
SCHEMBL9646948 0.88 PKMYT1 (0.32) —
Hydrochloric Acid SCHEMBL10401596 0.87 PKMYT1 (0.31) —
SCHEMBL9646843 0.86 PRKCI (0.35) P2RX3ME2ME1ME3
SCHEMBL10402416 0.85 MAPT (0.39) CYP3A4MAPT
SCHEMBL9646806 0.81 CA12 (0.32) LDHALDHB
SCHEMBL9647120 0.77 PRKCI (0.34) —
SCHEMBL10401616 0.76 CA12 (0.41) MAPT
Hydrochloric Acid SCHEMBL10402300 0.76 PRKCI (0.33) —
SCHEMBL9648247 0.76 ALDH1A1 (0.37) NOTUMCYP3A4CYP2C9MAPTME2
SCHEMBL9518487 0.75 HMGB1 (0.48) —

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
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 — — EP disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 — — EP disclosed
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