SCHEMBL10270927

SCHEMBL10270927

CC(=O)N1c2ccc(C3OC(C)O3)cc2C(Nc2ccc(CN)cc2)CC1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.55
BRD2 P25440 18/20 0.55
BRD3 Q15059 17/20 0.55
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
TRIM24 O15164 1/20 0.49
TAF1 P21675 1/20 0.49
EP300 Q09472 1/20 0.49
BRDT Q58F21 1/20 0.49
PBRM1 Q86U86 1/20 0.49
TAF1L Q8IZX4 1/20 0.49
CREBBP Q92793 1/20 0.49
BRWD1 Q9NSI6 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL10286407 0.88 BRD4 (0.52) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL2781662 0.87 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL13309442 0.87 BRD4 (0.54) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL10270646 0.85 BRD4 (0.54) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL26487409 0.79 BRD4 (0.68) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20270401 0.78 BRD4 (0.76) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20288917 0.78 BRD4 (0.76) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL5837342 0.78 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL17517792 0.78 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL5837340 0.78 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9

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-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed