SCHEMBL22600101

SCHEMBL22600101

COc1cc(C)c(=O)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.47
BRD9 Q9H8M2 9/20 0.45
BRD2 P25440 3/20 0.45
BRD7 Q9NPI1 1/20 0.45
BRD3 Q15059 2/20 0.43
CREBBP Q92793 1/20 0.43
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1155870 0.78 BRD4 (0.41) BRD4BRD9CREBBPALDH1A1
SCHEMBL10312581 0.75 CRHR1 (0.39) BRD4CYP19A1NQO2THRB
SCHEMBL12659550 0.73 BRD4 (0.53) BRD4BRD9BRD2BRD7BRD3
SCHEMBL19513633 0.71 BRD4 (0.47) BRD4BRD9BRD2BRD7
SCHEMBL23134699 0.71 BRD4 (0.68) BRD4BRD9BRD2BRD7
SCHEMBL19513637 0.71 BRD4 (0.43) BRD4BRD9BRD2BRD7
SCHEMBL31180701 0.70 MAOB (0.49) BRD4BRD9BRD2BRD3CREBBP
SCHEMBL28506607 0.70 BRD4 (0.58) BRD4BRD9BRD2BRD7
SCHEMBL2118787 0.70 BRD4 (0.50) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL22516630 0.70 BRD4 (0.50) BRD4BRD9BRD2BRD7BRD3

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-2020219168-A1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE, LLC (US) 2020-10-29 WO disclosed