SCHEMBL7979226

SCHEMBL7979226

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N=C3SCC(=O)N3Cc3ccc(C(F)(F)F)cc3)c(Cl)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SLC5A1 P13866 3/20 0.38
SLC5A2 P31639 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA9 Q16790 1/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KCNN4 O15554 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
CHRM5 P08912 3/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7979224 1.00 MAPT (0.38) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7684744 0.94 MAPT (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7690669 0.94 MAPT (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7684749 0.94 MAPT (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7690667 0.94 MAPT (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL8121707 0.93 MAPT (0.38) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7683865 0.93 KMT2A (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7684518 0.93 CA9 (0.44) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL8121711 0.93 MAPT (0.38) MAPTSLC5A1SLC5A2L3MBTL1CA9
SCHEMBL7683867 0.93 KMT2A (0.39) MAPTSLC5A1SLC5A2L3MBTL1CA9

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
US-6303783-B1 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents AMERICAN CYANAMID CO. 2001-10-16 US disclosed
EP-0985670-A1 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides American Cyanamid Company (US) 2000-03-15 EP disclosed