SCHEMBL22306010

SCHEMBL22306010

CC(C)(C)OC(=O)NCC(=O)Nc1cccc(-c2cccc(-c3ccncc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.45
▸ CYP17A1 P05093 3/20 0.45
▸ BLM P54132 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ LATS1 O95835 2/20 0.39
▸ AAK1 Q2M2I8 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL30316038 1.00 SCN9A (0.45) SCN9ACYP17A1BLMACACBACACA
SCHEMBL21224731 0.86 SCN9A (0.52) SCN9AACACBACACA
SCHEMBL30058851 0.84 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22289979 0.84 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22290558 0.84 BLM (0.46) BLMABL1EPHX1
SCHEMBL30060831 0.78 BLM (0.48) SCN9ACYP17A1BLMABL1
SCHEMBL22291068 0.78 BLM (0.48) SCN9ACYP17A1BLMABL1
SCHEMBL22306187 0.77 AURKA (0.41) BLMABL1IRAK4
SCHEMBL22306217 0.77 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL23704975 0.76 HTT (0.55) HDAC3HDAC1HDAC2HDAC10HDAC8

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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