SCHEMBL15925878

SCHEMBL15925878

Cc1noc2c1-c1ccc(Cl)cc1C(c1ccc(F)cc1)=N[C@@H]2C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.49
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL16303822 1.00 BRD4 (0.49) BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL9974006 0.84 BRD4 (0.54) BRD4SLC6A2SLC6A3
SCHEMBL21966250 0.82 BRD4 (0.69) BRD4
SCHEMBL9974002 0.82 BRD4 (0.69) BRD4
SCHEMBL16306561 0.82 BRD4 (0.46) BRD4
SCHEMBL15926491 0.82 BRD4 (0.46) BRD4
SCHEMBL15925891 0.81 BRD4 (0.62) BRD4
SCHEMBL16303824 0.81 BRD4 (0.59) BRD4
SCHEMBL15925880 0.81 BRD4 (0.59) BRD4
SCHEMBL14756077 0.81 BRD4 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed