SCHEMBL7754463

SCHEMBL7754463

CCS(=O)(=O)Nc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1C(N)=S

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
DHODH Q02127 1/20 0.31
BRD4 O60885 1/20 0.31
BRAF P15056 2/20 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
SCHEMBL7754465 0.86 MRGPRX1 (0.34) NR3C1ARDHODHBRAF
SCHEMBL7753846 0.81 BRD4 (0.35) NR3C1ARBRD4BRAF
SCHEMBL39236 0.78 DHODH (0.43) DHODH
SCHEMBL4677597 0.77 PPOX (0.33) NR3C1ARBRD4BRAF
SCHEMBL6310984 0.77 DHODH (0.38) DHODH
SCHEMBL4677562 0.73 PPOX (0.43) NR3C1AR
SCHEMBL6309209 0.72 DHODH (0.43) DHODH
SCHEMBL6695602 0.72 BRD4 (0.32) BRD4
SCHEMBL6315602 0.71 DHODH (0.38) DHODH
SCHEMBL27549447 0.71 PGR (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1305466-A Substituted phenyl pyridazinones BAYER AG (DE) 2001-07-25 CN disclosed
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