SCHEMBL14747602

SCHEMBL14747602

Nc1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.70
PTGS1 P23219 7/20 0.70
F10 P00742 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14747809 0.90 PTGS2 (0.71) PTGS2PTGS1POLB
SCHEMBL14747603 0.84 PTGS2 (0.55) PTGS2PTGS1F10POLBRAB9A
SCHEMBL6342810 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL14747606 0.81 PTGS2 (0.51) PTGS2PTGS1F10POLBMEN1
SCHEMBL14747605 0.80 PTGS2 (0.48) PTGS2PTGS1F10POLB
SCHEMBL8631459 0.76 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8638095 0.75 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL14747815 0.73 PTGS2 (0.54) PTGS2PTGS1POLBALDH1A1RAB9A
SCHEMBL8689482 0.72 PTGS2 (0.67) PTGS2PTGS1F10
SCHEMBL28724936 0.72 MAPT (0.46) PTGS2PTGS1F10POLBMEN1

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
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US disclosed