SCHEMBL9648247

SCHEMBL9648247

Cc1ccc(C(=O)O)c(O)c1Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ HMGB1 P09429 1/20 0.35
▸ CXCL12 P48061 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ SELL P14151 1/20 0.33
▸ SELP P16109 1/20 0.33
▸ GRM1 Q13255 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GLO1 Q04760 1/20 0.30
▸ ME2 P23368 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
SCHEMBL9645373 0.88 NNMT (0.32) TDP1
SCHEMBL10401598 0.86 NR4A2 (0.34) ALDH1A1KDM4EHPGDHSD17B10MAPT
Bromide SCHEMBL10402341 0.85 NR4A2 (0.33) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9647525 0.76 P2RX3 (0.34) NOTUMMAPTCYP3A4CYP2C9ME2
SCHEMBL9518487 0.75 HMGB1 (0.48) ALDH1A1KDM4EHPGDHSD17B10HMGB1
Hydrochloric Acid SCHEMBL10401999 0.74 HMGB1 (0.47) ALDH1A1KDM4EHPGDHSD17B10HMGB1
SCHEMBL2103783 0.73 TAAR1 (0.46) ALDH1A1HSD17B10POLBMAPTCYP3A4
SCHEMBL17941538 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10HMGB1
SCHEMBL2581660 0.71 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10HMGB1
SCHEMBL11050063 0.70 NOS2 (0.34) —

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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