SCHEMBL10575984

SCHEMBL10575984

COc1sc(C)cc1-c1nc2ccc(C(C)(C)CN)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NPBWR1 P48145 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ SCD O00767 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AMY1A P0DUB6 5/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL10572988 0.84 NPBWR1 (0.34) NPBWR1TRPV1METAP2SCDMAPT
SCHEMBL10576345 0.80 SCN10A (0.38) SCN10AKCNH2NPBWR1TRPV1METAP2
SCHEMBL10574081 0.76 AMY1A (0.56) NPBWR1AMY1A
SCHEMBL10573910 0.76 SLC2A1 (0.62) NPBWR1TRPV1ALDH1A1KDM4ENPC1
SCHEMBL10580044 0.74 AMY1A (0.41) NPBWR1TRPV1NPC1RAB9AAMY1A
SCHEMBL10693991 0.74 AMY1A (0.45) NPBWR1TRPV1AMY1A
SCHEMBL10577412 0.74 F2 (0.41) SCN10AKCNH2NPBWR1METAP2SCD
SCHEMBL10579204 0.74 ALOX5 (0.62) NPBWR1TRPV1ALDH1A1KDM4EAMY1A
SCHEMBL10577479 0.74 NPBWR1 (0.67) KCNH2NPBWR1TRPV1SCDALDH1A1
SCHEMBL10573938 0.73 MAPT (0.59) SCN10AKCNH2NPBWR1ALDH1A1KDM4E

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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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