SCHEMBL7754754

SCHEMBL7754754

CCS(=O)(=O)Nc1cc(-n2nc(C)c(C(F)(F)F)cc2=O)c(F)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.38
PGR P06401 6/20 0.36
BRD4 O60885 1/20 0.34
SLC22A12 Q96S37 3/20 0.32
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
PSIP1 O75475 1/20 0.32

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
SCHEMBL7754520 0.84 BRD4 (0.35) ARPGRBRD4SLC22A12PSIP1
SCHEMBL7753846 0.82 BRD4 (0.35) ARPGRBRD4SLC22A12
SCHEMBL6308458 0.81 PGR (0.40) ARPGRBRD4
SCHEMBL7157679 0.80 PGR (0.39) ARPGRBRD4
Potassium SCHEMBL7157685 0.80 PGR (0.39) ARPGRBRD4
SCHEMBL6307788 0.79 CTSK (0.36) ARPGRBRD4
SCHEMBL7941767 0.78 PGR (0.36) ARPGRBRD4SLC22A12PSIP1
SCHEMBL8505383 0.76 PGR (0.37) ARPGRBRD4SLC22A12PSIP1
SCHEMBL6174842 0.76 PGR (0.41) ARPGRBRD4SLC22A12PSIP1
SCHEMBL7695435 0.75 PGR (0.40) ARPGRBRD4SLC22A12BCAT2

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