SCHEMBL21653247

SCHEMBL21653247

Cn1c(C(=O)Nc2ccc(=O)n(C)c2)cc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
CREBBP Q92793 1/20 0.42
MET P08581 1/20 0.41
ALK Q9UM73 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
TP53 P04637 2/20 0.40
GRM1 Q13255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL21653390 0.85 SMN1; SMN2 (0.44) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653103 0.84 KDM1A (0.42) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653263 0.84 ALDH1A1 (0.42) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653236 0.83 RXFP1 (0.39) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21652890 0.83 KDM4E (0.41) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653237 0.82 ALDH1A1 (0.41) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653128 0.81 ALDH1A1 (0.40) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653107 0.81 ALDH1A1 (0.40) RXFP1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL21653241 0.77 RXFP1 (0.43) RXFP1TP53SMN1; SMN2THRBMAPT
SCHEMBL21653144 0.74 KDM4E (0.37) RXFP1RAB9ANPC1TP53SMN1; SMN2

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