SCHEMBL7754465

SCHEMBL7754465

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.34
DHODH Q02127 5/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
CCR1 P32246 2/20 0.31
BRAF P15056 2/20 0.31
MALT1 Q9UDY8 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
SCHEMBL7754463 0.86 NR3C1 (0.33) DHODHNR3C1ARBRAF
SCHEMBL7753846 0.80 BRD4 (0.35) NR3C1ARBRAF
SCHEMBL8517457 0.79 DHODH (0.47) DHODH
SCHEMBL8227965 0.77 DHODH (0.40) DHODH
SCHEMBL4677597 0.76 PPOX (0.33) NR3C1ARBRAF
SCHEMBL4677562 0.73 PPOX (0.43) NR3C1AR
SCHEMBL7253342 0.70 SCN9A (0.44)
SCHEMBL4679914 0.69 BAZ2B (0.40) BRAF
SCHEMBL31448215 0.69 NOTUM (0.37) CCR1
SCHEMBL4681846 0.69 NOTUM (0.37) CCR1

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