SCHEMBL9756981

SCHEMBL9756981

COC(=O)c1sc2ccc(O)cc2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
ICAM1 P05362 1/20 0.48
SELE P16581 1/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALOX15 P16050 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47

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
SCHEMBL10949281 0.88 MAPK1 (0.45) MAPK1LMNAICAM1SELEHPGD
SCHEMBL17149269 0.86 LMNA (0.50) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL14691616 0.85 CA12 (0.53) LMNAICAM1SELEHPGDALDH1A1
SCHEMBL15910659 0.84 L3MBTL1 (0.58) MAPK1LMNAICAM1SELEHPGD
SCHEMBL10958206 0.83 PFKFB3 (0.54) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL10954508 0.82 MAPK1 (0.44) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL9757077 0.82 GPR35 (0.65) ICAM1SELEALDH1A1CA12CA1
SCHEMBL719061 0.80 CISD2 (0.47) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL10953990 0.80 MAPK1 (0.44) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL30656333 0.79 L3MBTL1 (0.49) MAPK1LMNAICAM1SELEHPGD

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-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed