SCHEMBL27399409

SCHEMBL27399409

CC(C)(C)OC(=O)Nc1cscc1CO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
LCK P06239 3/20 0.38
CYP17A1 P05093 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NAMPT P43490 2/20 0.36
PSMB8 P28062 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ATR Q13535 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3633543 0.85 PTGDR2 (0.40) METAP1PI4KBLCKCYP17A1CA1
SCHEMBL1066439 0.85 METAP1 (0.45) METAP1PI4KBLCKCYP17A1CA1
SCHEMBL13136708 0.80 SMN1; SMN2 (0.43) MEN1GAAKMT2A
SCHEMBL3039310 0.79 MAPT (0.49) METAP1PI4KBLCKCYP17A1CA1
SCHEMBL23960291 0.78 ATR (0.43) METAP1LCKCYP17A1CA1CA2
SCHEMBL22774998 0.78 CA1 (0.42) METAP1LCKCYP17A1CA1CA2
SCHEMBL1483110 0.78 CA1 (0.42) METAP1LCKCYP17A1CA1CA2
SCHEMBL1482420 0.76 LCK (0.47) METAP1LCKCYP17A1NAMPT
SCHEMBL5029628 0.76 PTPN1 (0.56) METAP1LCKCYP17A1CA1CA2
SCHEMBL646870 0.76 ALDH1A1 (0.50) METAP1CA1RXFP1BRD9MEN1

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