SCHEMBL20357585

SCHEMBL20357585

COc1ccc2ccc(=O)n(Cc3ccc(Cl)nc3)c2c1-c1c(C)noc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.47
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ BRD2 P25440 2/20 0.42
▸ BRD3 Q15059 2/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ PDE1B Q01064 1/20 0.38
▸ USP1 O94782 1/20 0.36
▸ EP300 Q09472 2/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL20357624 0.89 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357625 0.84 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357577 0.83 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326397 0.83 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357588 0.81 BRD4 (0.44) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357646 0.80 BRD4 (0.41) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357610 0.80 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357636 0.79 BRD4 (0.41) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357584 0.79 BRD4 (0.41) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357601 0.79 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3

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 claimed
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