SCHEMBL8199732

SCHEMBL8199732

COc1cc(-n2nc(C(=O)O)cc2-c2ccc(SC)cc2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 13/20 0.65
SMN1; SMN2 Q16637 2/20 0.55
MARS1 P56192 1/20 0.54
PPP1CA P62136 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL7463244 0.83 RPA1 (0.76) RPA1SMN1; SMN2MARS1PPP1CAL3MBTL1
SCHEMBL7872744 0.82 RIPK2 (0.43) RPA1
SCHEMBL9204658 0.78 KMT2A (0.72) RPA1SMN1; SMN2MARS1PPP1CAL3MBTL1
SCHEMBL9204760 0.78 KMT2A (0.72) RPA1SMN1; SMN2MARS1PPP1CAL3MBTL1
SCHEMBL9201599 0.77 RPA1 (0.58) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL8638380 0.77 RPA1 (0.55) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL8641975 0.76 RPA1 (0.67) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL3863671 0.76 SMN1; SMN2 (0.69) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL7874517 0.75 RPA1 (0.43) RPA1SMN1; SMN2MEN1KMT2AATM
SCHEMBL3863481 0.74 MALT1 (0.66) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1

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-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed