SCHEMBL13723319

SCHEMBL13723319

CC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2cnccn2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.49
▸ BRD2 P25440 10/20 0.49
▸ BRD3 Q15059 10/20 0.49
▸ CCL2 P13500 1/20 0.44
▸ TRIM24 O15164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TAF1 P21675 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ TAF1L Q8IZX4 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ BRWD1 Q9NSI6 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42

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
SCHEMBL15437262 1.00 BRD4 (0.49) BRD4BRD2BRD3CCL2TRIM24
SCHEMBL15437286 0.91 BRD4 (0.54) BRD4BRD2BRD3CCL2CYP3A4
SCHEMBL13724410 0.91 BRD4 (0.54) BRD4BRD2BRD3CCL2CYP3A4
SCHEMBL13724323 0.90 BRD4 (0.63) BRD4BRD2BRD3CCL2
SCHEMBL13723722 0.88 BRD4 (0.59) BRD4BRD2BRD3CCL2
SCHEMBL15437401 0.88 BRD4 (0.60) BRD4BRD2BRD3CCL2TRIM24
SCHEMBL18871994 0.88 BRD4 (0.58) BRD4BRD2BRD3CCL2
SCHEMBL15437557 0.88 BRD4 (0.58) BRD4BRD2BRD3CCL2
SCHEMBL18871853 0.86 BRD4 (0.48) BRD4BRD2BRD3CCL2TRIM24
SCHEMBL13723764 0.86 BRD4 (0.48) BRD4BRD2BRD3CCL2TRIM24

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699551-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 — — EP disclosed
WO-2012143415-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 — — WO disclosed
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