SCHEMBL31622837

SCHEMBL31622837

N#Cc1nn[nH]c1-c1cc(/C=C/c2ccc(F)cc2F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 4/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HTR2A P28223 7/20 0.37
▸ HTR2C P28335 6/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ NR3C2 P08235 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL16398940 1.00 NFE2L2 (0.39) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL16398939 1.00 NFE2L2 (0.39) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL16399364 0.84 NFE2L2 (0.39) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL16399363 0.84 NFE2L2 (0.39) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL17969137 0.84 NFE2L2 (0.51) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL17969139 0.84 NFE2L2 (0.51) NFE2L2PTGS1PTGS2HTR2AHTR2C
SCHEMBL16403154 0.81 NFE2L2 (0.42) NFE2L2
SCHEMBL16403155 0.81 NFE2L2 (0.42) NFE2L2
SCHEMBL31622876 0.81 NFE2L2 (0.42) NFE2L2
SCHEMBL17969097 0.81 ERBB2 (0.47) NFE2L2PTGS1PTGS2HTR2AHTR2C

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
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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