SCHEMBL7977660

SCHEMBL7977660

CCCN1C(=O)CS/C1=N\c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 2/20 0.30
MAPK1 P28482 1/20 0.30
OPRK1 P41145 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL7977662 1.00 L3MBTL1 (0.39) L3MBTL1MAPTNPSR1MAPK1OPRK1
SCHEMBL8116917 0.94 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ALDH1A1GAA
SCHEMBL8116916 0.94 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ALDH1A1GAA
SCHEMBL7976341 0.93 L3MBTL1 (0.37) L3MBTL1MAPTNPSR1MAPK1OPRK1
SCHEMBL7976343 0.93 L3MBTL1 (0.37) L3MBTL1MAPTNPSR1MAPK1OPRK1
SCHEMBL7982118 0.91 L3MBTL1 (0.36) L3MBTL1MAPT
SCHEMBL7982117 0.91 L3MBTL1 (0.36) L3MBTL1MAPT
SCHEMBL7690629 0.91 L3MBTL1 (0.37) L3MBTL1MAPT
SCHEMBL7690627 0.91 L3MBTL1 (0.37) L3MBTL1MAPT
SCHEMBL7684765 0.91 MAPT (0.37) L3MBTL1MAPTALDH1A1

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