SCHEMBL13981982

SCHEMBL13981982

Nc1cccc(CNc2ccc(C(=O)O)cc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.55
▸ KDM5A P29375 2/20 0.46
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ PPM1D O15297 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ CXCR2 P25025 1/20 0.42

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
SCHEMBL13981968 0.86 LOXL2 (0.48) HIF1AALDH1A1HPGDKDM4EGAA
SCHEMBL6266178 0.82 KDM5A (0.56) MRGPRX4KDM5AALDH1A1HPGDKDM4E
SCHEMBL30535169 0.76 GAA (0.65) MRGPRX4ALDH1A1HPGDKDM4EGAA
SCHEMBL7993941 0.76 GAA (0.65) MRGPRX4ALDH1A1HPGDKDM4EGAA
SCHEMBL14420823 0.73 MRGPRX4 (0.59) MRGPRX4HIF1AALDH1A1HPGDPPM1D
SCHEMBL12775045 0.71 FOLH1 (0.58) HIF1AKMT2AMEP1B
SCHEMBL22469681 0.71 MRGPRX4 (1.00) MRGPRX4HIF1APPM1DL3MBTL1POLB
SCHEMBL31568452 0.71 MRGPRX4 (1.00) MRGPRX4HIF1APPM1DL3MBTL1POLB
SCHEMBL1231292 0.71 CYP1A2 (0.65) ALDH1A1HPGDKDM4EMAPTAURKA
SCHEMBL4497861 0.70 MRGPRX4 (0.75) MRGPRX4HIF1AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 — — WO disclosed
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