SCHEMBL20373753

SCHEMBL20373753

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)C(=O)C(C)(C)C(=O)N2Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.40
▸ SYK P43405 3/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ INCENP Q9NQS7 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL18326375 0.81 SCN9A (0.46) SCN9AKMT2AMEN1ALDH1A1PKM
SCHEMBL20373765 0.79 BRD4 (0.45) SCN9ASYKAURKBINCENPKMT2A
SCHEMBL20373577 0.76 SCN9A (0.41) SCN9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16896733 0.74 BRD4 (0.53) SCN9A
SCHEMBL20373279 0.72 PDE1A (0.40) SYKAURKBINCENPKMT2AMEN1
SCHEMBL20373356 0.71 PLA2G2A (0.39) SYKAURKBINCENPKMT2AMEN1
SCHEMBL20373579 0.70 AR (0.37) SYKAURKBINCENPKMT2AMEN1
SCHEMBL20373585 0.67 POLB (0.38) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL18326377 0.66 SCN9A (0.47) SCN9ASYKKMT2AMEN1ALDH1A1
SCHEMBL18359530 0.66 PDE1A (0.37) SYKAURKBINCENPKMT2AMEN1

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
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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