SCHEMBL9280655

SCHEMBL9280655

O=CN(c1ccccc1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
LMNA P02545 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NR3C1 P04150 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HDAC1 Q13547 2/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
AURKA O14965 1/20 0.34
PIM1 P11309 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL6251789 0.80 FBP1 (0.42) LMNARAB9AKMT2AMEN1FFAR2
SCHEMBL6228985 0.76 KCNA5 (0.36) NPC1RAB9APIM1
SCHEMBL9305341 0.76 PDPK1 (0.45) PDPK1LMNAFFAR1FFAR4TRPM8
SCHEMBL28308906 0.74 TRPM8 (0.33) TRPM8HDAC1FFAR2
SCHEMBL2988998 0.74 NPC1 (0.50) PDPK1LMNAFFAR1FFAR4NR3C1
SCHEMBL6251427 0.74 ALDH1A1 (0.43) TRPM8KDM4ETSHRALDH1A1GAA
SCHEMBL4239450 0.73 PDPK1 (0.42) PDPK1LMNAFFAR1FFAR4NR3C1
SCHEMBL1896858 0.72 LMNA (0.53) PDPK1LMNAFFAR1FFAR4NR3C1
SCHEMBL10599572 0.72 KDM4E (0.40) PDPK1LMNAFFAR1FFAR4TRPM8
SCHEMBL43388 0.72 ALDH1A1 (0.42) LMNATRPM8NPC1RAB9AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371950-B1 Substituted thiazoles and their use as fungicides MONSANTO CO (US) 1995-01-11 EP disclosed
US-5045554-A Fluoro compounds, rice sheath blight, Basidiomycetes type fungus MONSANTO COMPANY (US) 1991-09-03 US disclosed
WO-1991001311-A1 SUBSTITUTED CARBOXANILIDOTHIAZOLES AND THEIR USE AS FUNGICIDES MONSANTO COMPANY (US) 1991-02-07 WO disclosed
EP-0371950-A2 Substituted thiazoles and their use as fungicides Monsanto Company (US) 1990-06-06 EP disclosed