SCHEMBL14649871

SCHEMBL14649871

FC(F)(F)c1cc(Oc2cccc(Br)c2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
RAF1 P04049 5/20 0.45
CDK8 P49336 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TLR8 Q9NR97 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
IDO1 P14902 1/20 0.40
RET P07949 1/20 0.39

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
SCHEMBL5668761 0.83 PPARG (0.52) ARRAF1CDK8PPARGPPARA
SCHEMBL29623436 0.83 AR (0.47) ARCDK8TLR8CYP1A2CYP3A4
SCHEMBL27533351 0.81 RAB9A (0.53) ARRAF1CDK8PPARGPPARA
SCHEMBL14649870 0.80 KMO (0.56) GAAMAPT
SCHEMBL14649764 0.77 AR (0.41) ARRAF1PPARGPPARAIDO1
SCHEMBL12733300 0.76 AR (0.40) ARRAF1CDK8PPARGPPARA
SCHEMBL876310 0.76 AR (0.45) ARRAF1PPARGPPARAGPR84
SCHEMBL876272 0.76 AR (0.49) ARRAF1CDK8PPARGPPARA
SCHEMBL6511184 0.76 MAOA (0.50) ARRAF1CDK8CYP3A4GAA
SCHEMBL18235652 0.76 AR (0.49) ARRAF1CDK8PPARGPPARA

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-2013010758-A1 NEMATOCIDE N- CYCLOPROPYL - SULFONYLAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed