SCHEMBL27201211

SCHEMBL27201211

Cc1cc(Cc2ccccc2F)c(C)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MPO P05164 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADCY10 Q96PN6 1/20 0.39
IDO1 P14902 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
AOC3 Q16853 1/20 0.39
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20268128 0.85 ALDH1A1 (0.46) ALDH1A1CYP1A2MPOTAAR1SLC6A2
SCHEMBL30290875 0.84 ALDH1A1 (0.73) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL941288 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL20084226 0.79 SKP2 (0.46) ALDH1A1MPOTAAR1IDO1CYP3A4
SCHEMBL27201239 0.79 ALDH1A1 (0.66) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL20085195 0.79 TAAR1 (0.46) ALDH1A1MPOTAAR1ADCY10IDO1
SCHEMBL19853548 0.78 TDP1 (0.44) ALDH1A1MPOTAAR1IDO1CYP3A4
SCHEMBL22231703 0.76 MPO (0.41) ALDH1A1MPOTAAR1SLC6A2SLC6A4
SCHEMBL22232123 0.76 MPO (0.41) ALDH1A1MPOTAAR1SLC6A2SLC6A4
SCHEMBL22897934 0.76 SLC6A4 (0.43) ALDH1A1ALOX15MPOTAAR1SLC6A2

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