SCHEMBL6498345

SCHEMBL6498345

Cc1cc(N=CN(C)C)c(C)cc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2C P28335 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MIF P14174 2/20 0.36
MPO P05164 1/20 0.36
IDO1 P14902 2/20 0.36
DAO P14920 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ACP3 P15309 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 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
SCHEMBL6498343 1.00 MAPT (0.40) MAPTGAAGFERHTR2AHTR2B
SCHEMBL21495637 1.00 MAPT (0.40) MAPTGAAGFERHTR2AHTR2B
SCHEMBL21495218 0.90 MAPT (0.38) MAPTGAAHTR2AHTR2BHTR2C
SCHEMBL21495219 0.90 MAPT (0.38) MAPTGAAHTR2AHTR2BHTR2C
SCHEMBL6500395 0.81 MAPT (0.45) MAPTGAAGFERDAOLMNA
SCHEMBL6500399 0.81 MAPT (0.45) MAPTGAAGFERDAOLMNA
SCHEMBL3185063 0.77 IDO1 (0.39) MAPTGAAGFERHTR2AHTR2B
SCHEMBL3185070 0.77 IDO1 (0.39) MAPTGAAGFERHTR2AHTR2B
SCHEMBL3185075 0.77 IDO1 (0.39) MAPTGAAGFERHTR2AHTR2B
SCHEMBL6501316 0.77 GAA (0.42) MAPTGAAGFER

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 3 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
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed