SCHEMBL16694845

SCHEMBL16694845

Cc1noc2c1-c1ccccc1C(=O)N[C@H]2C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.43
STAT3 P40763 2/20 0.33
BRD2 P25440 1/20 0.33

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
SCHEMBL9887047 0.77 BRD4 (0.49) BRD4
SCHEMBL9974004 0.77 BRD4 (0.42) BRD4BRD2
SCHEMBL18209322 0.75 HSD17B10 (0.49)
SCHEMBL9974035 0.74 BRD4 (0.42) BRD4
SCHEMBL9282881 0.73 BRD4 (0.41) BRD4BRD2
SCHEMBL9886993 0.72 CYP1A2 (0.46) BRD4
SCHEMBL16705453 0.72 BRD4 (0.44) BRD4
SCHEMBL9932378 0.70 BRD4 (0.56) BRD4
SCHEMBL11350887 0.64 HSD17B10 (0.49)
SCHEMBL16705440 0.63 BRD4 (0.36) BRD4

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-2646446-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2015-05-13 EP disclosed