SCHEMBL3410099

SCHEMBL3410099

CC(C)(C)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(CC(=O)O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41

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
SCHEMBL3473822 0.91 FFAR1 (0.43)
SCHEMBL3473813 0.89 KDM4E (0.41) BRD4
SCHEMBL3381530 0.88 BRD4 (0.45) BRD4
SCHEMBL3415925 0.87 CHEK2 (0.44)
SCHEMBL3474588 0.85 GCGR (0.45)
SCHEMBL3432621 0.84 BRD4 (0.50) BRD4
SCHEMBL3435117 0.82 FFAR1 (0.46) BRD4
SCHEMBL4308946 0.82
SCHEMBL3472581 0.82 TDP2 (0.42) BRD4
SCHEMBL3473476 0.81 ALDH1A1 (0.41) 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
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed