SCHEMBL7997391

SCHEMBL7997391

COc1ccc(-c2csc(N[C@H](C(=O)N3CCC[C@H]3C(N)=O)C(C)(C)C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNQ1 P51787 17/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ACHE P22303 1/20 0.46

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
SCHEMBL7997071 0.90 NPC1 (0.52) KCNQ1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL7997452 0.90 TRPV1 (0.47) KCNQ1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL7987507 0.89 CNR2 (0.47) KCNQ1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL17188760 0.85 UCHL1 (0.46) KCNQ1MEN1MAPTKMT2AMAPK1
SCHEMBL17188767 0.83 RAB9A (0.51) SMN1; SMN2LMNAMEN1MAPTHTT
SCHEMBL7999807 0.73 CNR2 (0.44) KCNQ1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL7943694 0.71 ELANE (0.46) RAB9AALDH1A1
SCHEMBL7996009 0.70 CSNK2A1 (0.52) SMN1; SMN2LMNAMEN1MAPTHTT
SCHEMBL12780144 0.69 ELANE (0.46) —
SCHEMBL7942699 0.69 THRB (0.46) KMT2AALDH1A1

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-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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