SCHEMBL22685060

SCHEMBL22685060

N#Cc1ccc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 7/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ DEGS1 O15121 2/20 0.42
▸ CXCR3 P49682 2/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ MAPK8 P45983 1/20 0.37

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
SCHEMBL22684820 0.87 DEGS1 (0.45) HDAC3HDAC1HDAC2HDAC6DEGS1
SCHEMBL22439054 0.86 DEGS1 (0.46) DEGS1CXCR3EGLN1AKT1
SCHEMBL22685202 0.83 WDR91 (0.40) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL23908262 0.74 EGLN1 (0.50) DEGS1CXCR3EGLN1AKT1
SCHEMBL22685246 0.73 WDR91 (0.45) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22438959 0.73 WDR91 (0.57) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22439074 0.72 CXCR3 (0.43) DEGS1CXCR3EGLN1
SCHEMBL22685160 0.72 WDR91 (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685088 0.72 CTSL (0.44) HDAC1DEGS1CXCR3EGLN1AKT1
SCHEMBL22657417 0.71 MKNK1 (0.45) HDAC1HDAC6DEGS1CXCR3AKT1

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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