SCHEMBL20288492

SCHEMBL20288492

CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(N)c(C(F)(F)F)c2)C[C@H](C)N3C(C)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.67
▸ BRD2 P25440 19/20 0.67
▸ BRD3 Q15059 18/20 0.61
▸ TRIM24 O15164 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TAF1 P21675 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ EP300 Q09472 1/20 0.50
▸ BRDT Q58F21 1/20 0.50
▸ PBRM1 Q86U86 1/20 0.50
▸ TAF1L Q8IZX4 1/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ BRWD1 Q9NSI6 1/20 0.50
▸ TRIM33 Q9UPN9 1/20 0.50

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
SCHEMBL20288488 0.89 BRD4 (0.70) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL20288500 0.88 BRD4 (0.71) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL23467411 0.88 BRD4 (0.64) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL26487313 0.88 BRD4 (0.64) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL20288487 0.87 BRD4 (0.70) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL20288465 0.87 BRD4 (0.71) BRD4BRD2BRD3
SCHEMBL20270832 0.86 BRD4 (0.84) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL20288490 0.86 BRD4 (0.73) BRD4BRD2BRD3
SCHEMBL20288826 0.86 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL26487279 0.85 BRD4 (0.69) 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
WO-2018111805-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-06-21 — — WO disclosed
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