SCHEMBL27399412

SCHEMBL27399412

CC(C)(C)OC(=O)Nc1cscc1C=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
CYP17A1 P05093 3/20 0.38
ATR Q13535 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
PSMB8 P28062 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LCK P06239 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL1066439 0.85 METAP1 (0.45) METAP1CYP17A1ATRCA1CA2
SCHEMBL27450991 0.79 METAP1 (0.38) METAP1CYP17A1ATRCA1CA2
SCHEMBL3039310 0.79 MAPT (0.49) METAP1CYP17A1ATRCA1CA2
SCHEMBL29260322 0.78 ATR (0.41) METAP1CYP17A1ATRCA1CA2
SCHEMBL23960291 0.78 ATR (0.43) METAP1CYP17A1ATRCA1CA2
SCHEMBL22774998 0.78 CA1 (0.42) METAP1CYP17A1ATRCA1CA2
SCHEMBL1483110 0.78 CA1 (0.42) METAP1CYP17A1ATRCA1CA2
SCHEMBL5029628 0.76 PTPN1 (0.56) METAP1CYP17A1ATRCA1CA2
SCHEMBL29509673 0.76 LMNA (0.46) METAP1CYP17A1ATRRXFP1BRD9
SCHEMBL5785123 0.76 LMNA (0.46) METAP1CYP17A1ATRRXFP1BRD9

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-2024129956-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-20 WO disclosed