SCHEMBL27201231

SCHEMBL27201231

Cc1cc(Cc2cccc(F)c2)c(C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MPO P05164 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP7 P55210 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ADCY10 Q96PN6 1/20 0.41
IDH1 O75874 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MAOB P27338 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL23926298 0.86 ADCY10 (0.44) ALDH1A1MPOTAAR1IDO1AGXT
SCHEMBL27201226 0.82 ALDH1A1 (0.58) ALDH1A1TAAR1CYP1A2ALOX15CASP7
SCHEMBL28292196 0.81 ALDH1A1 (0.56) ALDH1A1MPOTAAR1CYP1A2ALOX15
SCHEMBL6489721 0.80 ALDH1A1 (0.51) ALDH1A1MPOTAAR1CYP1A2IDO1
SCHEMBL22232600 0.79 TAAR1 (0.45) MPOTAAR1IDO1AGXTADCY10
SCHEMBL29454253 0.79 TAAR1 (0.45) MPOTAAR1IDO1AGXTADCY10
SCHEMBL16191018 0.78 TAAR1 (0.50) ALDH1A1MPOTAAR1IDO1AGXT
SCHEMBL22897738 0.77 ACHE (0.46) MPOTAAR1IDO1AGXTADCY10
SCHEMBL22231831 0.77 IDH1 (0.47) MPOTAAR1IDO1AGXTADCY10
SCHEMBL22231798 0.77 IDH1 (0.44) MPOTAAR1IDO1AGXTADCY10

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-3525588-B1 4-SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2024-04-24 EP disclosed