SCHEMBL21653243

SCHEMBL21653243

CCn1cc(NC(=O)c2cc(OC)c(Cl)s2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 5/20 0.44
▸ PDE10A Q9Y233 6/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ CPT1A P50416 1/20 0.40

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
SCHEMBL21653278 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPDE10ATP53RECQL
SCHEMBL21653250 0.86 ALDH1A1 (0.43) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL21652912 0.85 KDM4E (0.45) SMN1; SMN2MAPTPDE10AKDM4EALDH1A1
SCHEMBL21653124 0.85 PPARG (0.40) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL21653140 0.84 ALDH1A1 (0.45) SMN1; SMN2MAPTPDE10ATP53RECQL
SCHEMBL21653078 0.81 USP7 (0.39) SMN1; SMN2KDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL21653240 0.81 ALDH1A1 (0.45) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL21653129 0.80 KDM4E (0.47) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL21653230 0.79 ALDH1A1 (0.49) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL21653136 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPDE10ATP53RECQL

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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