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SCHEMBL1670763

SCHEMBL1670763

Cc1noc(C)c1-c1cn(C)c(-c2ccn(C)n2)c1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.38
▸ BRD2 P25440 1/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ CREBBP Q92793 3/20 0.33
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL1671529 0.74 BRD4 (0.36) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL12800390 0.73 BRD4 (0.43) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL12362813 0.72 BRD4 (0.66) BRD4BRD2MLYCDERN1CREBBP
Hydrochloric Acid SCHEMBL23174957 0.71 BRD4 (0.63) BRD4BRD2MLYCDERN1CREBBP
SCHEMBL1670383 0.71 BRD4 (0.40) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL12800384 0.70 BRD4 (0.39) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL1672805 0.68 BRD4 (0.38) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL1672807 0.68 BRD4 (0.38) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL1672810 0.68 BRD4 (0.40) BRD4BRD2MLYCDERN1HSP90AB1
SCHEMBL12808114 0.67 BRD4 (0.45) BRD4BRD2MLYCDERN1HSP90AB1

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-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 — — WO claimed