SCHEMBL27399415

SCHEMBL27399415

CCOC(=O)/C(=C/c1cscc1NC(=O)OC(C)(C)C)CC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNQ4 P56696 2/20 0.34
▸ KCNQ5 Q9NR82 2/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MIF P14174 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL29260330 0.83 CYP17A1 (0.35) ALDH1A1GAAL3MBTL1KCNQ4KCNQ5
SCHEMBL23289646 0.79 LMNA (0.37) ALDH1A1GAAL3MBTL1KCNQ4KCNQ5
SCHEMBL24255781 0.79 AR (0.33) ALDH1A1GAAL3MBTL1KCNQ4KCNQ5
SCHEMBL23311454 0.73 DHODH (0.39) ALDH1A1GAAL3MBTL1LMNACTSS
SCHEMBL27399412 0.71 METAP1 (0.39) —
SCHEMBL3836742 0.70 TTK (0.39) KCNQ4KCNQ5CTSSCTSK
SCHEMBL27078324 0.70 CYP17A1 (0.38) CTSSCTSKRAB9A
SCHEMBL1066439 0.69 METAP1 (0.45) LMNAPI4KB
SCHEMBL13136708 0.68 SMN1; SMN2 (0.43) ALDH1A1GAAL3MBTL1ABCB1LMNA
SCHEMBL25408853 0.67 AR (0.35) CTSSCTSK

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
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