SCHEMBL21495897

SCHEMBL21495897

Cc1cc(C(C#N)c2cccc(C(F)(F)F)c2)c(C)cc1N=CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
MC4R P32245 1/20 0.33
DAO P14920 1/20 0.32
PNMT P11086 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
CES2 O00748 1/20 0.30
ACP3 P15309 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
SCHEMBL21495602 0.90 MC4R (0.37) LRRK2GAAMAPTTAAR1SLC6A4
SCHEMBL23926284 0.90 MC4R (0.37) LRRK2GAAMAPTTAAR1SLC6A4
Hydrochloric Acid SCHEMBL21495811 0.81 GAA (0.36) LRRK2GAATAAR1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL23926266 0.81 GAA (0.36) LRRK2GAATAAR1SLC6A4SLC6A2
SCHEMBL6501313 0.75 GAA (0.42) GAAMAPTGFERALDH1A1
SCHEMBL6501316 0.75 GAA (0.42) GAAMAPTGFERALDH1A1
SCHEMBL29031382 0.74 LRRK2 (0.48) LRRK2GAAMAPTTAAR1SLC6A4
SCHEMBL27201090 0.73 ALDH1A1 (0.34) GAAALDH1A1
SCHEMBL6491917 0.73 LRRK2 (0.39) LRRK2GAAMAPTTAAR1DAO
SCHEMBL15022483 0.70 TEAD1 (0.42) GAAMAPTGFERALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019202459-A1 USE OF 4-SUBSTITUTED PHENYLAMIDINE COMPOUNDS FOR CONTROLLING DISEASE RUST DISEASES IN PLANTS PI INDUSTRIES LTD. (IN) 2019-10-24 WO claimed
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