SCHEMBL7979276

SCHEMBL7979276

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N=C3SCC(=O)N3Cc3ccccc3Cl)c(Cl)cc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIM1 P11309 1/20 0.34
TP53 P04637 1/20 0.34
CA9 Q16790 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM1 P11229 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL7979274 1.00 L3MBTL1 (0.41) L3MBTL1MAPTALDH1A1GAATSHR
SCHEMBL7690672 0.94 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1GAATSHR
SCHEMBL7690671 0.94 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1GAATSHR
SCHEMBL7684170 0.92 MAPT (0.42) L3MBTL1MAPTALDH1A1TSHRNPSR1
SCHEMBL7684171 0.92 MAPT (0.42) L3MBTL1MAPTALDH1A1TSHRNPSR1
SCHEMBL7690667 0.89 MAPT (0.39) L3MBTL1MAPTALDH1A1TSHRNPSR1
SCHEMBL7684749 0.89 MAPT (0.39) L3MBTL1MAPTALDH1A1NPSR1TP53
SCHEMBL7684744 0.89 MAPT (0.39) L3MBTL1MAPTALDH1A1NPSR1TP53
SCHEMBL7690669 0.89 MAPT (0.39) L3MBTL1MAPTALDH1A1TSHRNPSR1
SCHEMBL7977662 0.88 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1GAATSHR

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