SCHEMBL27459742

SCHEMBL27459742

O=C1Cc2cc[c]cc2C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 20/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP9 P55211 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CASP8 Q14790 1/20 0.56
▸ MAP3K14 Q99558 1/20 0.56

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
SCHEMBL1097748 0.77 AHR (0.53) TDP2CASP3CASP7CASP9CASP6
SCHEMBL443143 0.73 AHR (0.53) TDP2CASP3CASP7CASP9CASP6
Hydrochloric Acid SCHEMBL9377496 0.73 TDP2 (0.92) TDP2CASP3CASP7CASP9CASP6
SCHEMBL392241 0.73 CA12 (0.53) —
SCHEMBL68422 0.73 MAOA (0.33) —
SCHEMBL29580380 0.72 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL422023 0.72 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL156695 0.71 GSK3B (0.50) CASP3CASP7CASP6CASP8
Hydrochloric Acid SCHEMBL7001639 0.71 TDP2 (0.96) TDP2CASP3CASP7CASP9CASP6
SCHEMBL909853 0.70 PARP10 (0.56) —

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
CN-1202800-A Herbicidal composition NOVARTIS AG (CH) 1998-12-23 — — CN disclosed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 — — CN disclosed
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