SCHEMBL20256607

SCHEMBL20256607

NCc1cc(OC(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MAOB P27338 3/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL18585144 0.81 MTNR1B (0.40) PPARGPPARAALOX15GFERADAM17
SCHEMBL12474356 0.81 PPARG (0.37) PPARGPPARAALOX15GFERADAM17
SCHEMBL24587311 0.81 PPARG (0.40) PPARGPPARAALOX15GFERADAM17
SCHEMBL4680033 0.81 MRGPRX4 (0.40) PPARGPPARAALOX15GFERADAM17
SCHEMBL18216618 0.79 P2RX7 (0.40) PPARGPPARARORCMRGPRX4MTNR1B
SCHEMBL24587369 0.79 PPARG (0.40) PPARGPPARAMTNR1B
SCHEMBL4550397 0.78 MPO (0.44) MAOBALOX15AOC3
SCHEMBL29786515 0.78 MPO (0.44) MAOBALOX15AOC3
SCHEMBL12474349 0.77 CHRM2 (0.35) PPARGPPARAALOX15GFERADAM17
SCHEMBL3536393 0.77 TAAR1 (0.55) TAAR1MTNR1B

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-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 — — WO disclosed
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