SCHEMBL7754520

SCHEMBL7754520

CCS(=O)(=O)Nc1cc(-n2nc(C)c(C(F)(F)F)c(C)c2=O)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PGR P06401 6/20 0.34
AR P10275 4/20 0.34
BRAF P15056 3/20 0.31
SLC22A12 Q96S37 1/20 0.31
PSIP1 O75475 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL7754754 0.84 AR (0.38) BRD4PGRARSLC22A12PSIP1
SCHEMBL7753846 0.83 BRD4 (0.35) BRD4PGRARBRAFSLC22A12
SCHEMBL6308458 0.79 PGR (0.40) BRD4PGRAR
Potassium SCHEMBL7157685 0.78 PGR (0.39) BRD4PGRAR
SCHEMBL7157679 0.78 PGR (0.39) BRD4PGRAR
SCHEMBL6307788 0.78 CTSK (0.36) BRD4PGRAR
SCHEMBL7941767 0.76 PGR (0.36) BRD4PGRARSLC22A12PSIP1
SCHEMBL8464646 0.75 PGR (0.38) BRD4PGRARBRAFPSIP1
SCHEMBL6310409 0.73 PGR (0.39) BRD4PGRAR
SCHEMBL8505383 0.73 PGR (0.37) BRD4PGRARBRAFSLC22A12

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
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed