SCHEMBL11246470

SCHEMBL11246470

CCc1cccc(C)c1NCc1cscn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
OPRM1 P35372 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
PTGS2 P35354 1/20 0.37
NLRP3 Q96P20 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL19986922 0.74 MEN1 (0.47) SMN1; SMN2ALDH1A1ALOX12HTTMEN1
SCHEMBL11321235 0.72 KMT2A (0.40) OPRM1SMN1; SMN2ALDH1A1ALOX12MAPT
SCHEMBL11327512 0.71 NLRP3 (0.41) OPRM1SMN1; SMN2ALDH1A1ALOX12MAPT
SCHEMBL29418253 0.71 PTGS2 (0.49) SMN1; SMN2ALDH1A1ALOX12MAPTHTT
SCHEMBL998947 0.71 PTGS2 (0.49) SMN1; SMN2ALDH1A1ALOX12MAPTHTT
SCHEMBL710531 0.71 KCNH2 (0.51) SMN1; SMN2ALDH1A1ALOX12MAPTHTT
SCHEMBL11334267 0.70 OPRM1 (0.42) OPRM1SMN1; SMN2ALDH1A1ALOX12MAPT
SCHEMBL11364208 0.70 OPRM1 (0.39) OPRM1SMN1; SMN2ALDH1A1ALOX12MAPT
SCHEMBL11332305 0.69 OPRM1 (0.39) OPRM1SMN1; SMN2ALDH1A1ALOX12MAPT
SCHEMBL11326509 0.69 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1ALOX12MAPTHTT

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-4336059-A Herbicidal and plant-growth-regulating N-(heterocyclyl)-methylacetanilide CHEVRON RESEARCH COMPANY (US) 1982-06-22 US disclosed
US-4221584-A Herbicidal and plant-growth-regulating N-(heterocyclyl)-methylacetanilides CHEVRON RESEARCH COMPANY (US) 1980-09-09 US disclosed