SCHEMBL6676477

SCHEMBL6676477

COc1ncc(-c2nn(C)c(OC)c2Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.36
KMT2A Q03164 1/20 0.35
SCN9A Q15858 5/20 0.35
SCN5A Q14524 2/20 0.35
PTGES2 Q9H7Z7 3/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
GRM2 Q14416 1/20 0.33
MALT1 Q9UDY8 2/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 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
SCHEMBL6683889 0.87 SCN9A (0.38) UGCGKMT2ASCN9ASCN5AGRM2
SCHEMBL6672773 0.69 RAB9A (0.43) MAPT
SCHEMBL16273687 0.68 ESR2 (0.41) KMT2AMAPT
SCHEMBL27892862 0.67 MAPT (0.65) KMT2APTGES2MAPTCASP1LMNA
SCHEMBL6673150 0.67 KMT2A (0.39) KMT2ASCN9AGRM2
SCHEMBL7898139 0.66 CRHR1 (0.34) SLC34A1
SCHEMBL7270968 0.66 AURKA (0.66) KMT2APTGES2CDK2GSK3BMALT1
SCHEMBL7055864 0.65 SMN1; SMN2 (0.64) KMT2ASCN9ASCN5AMAPTCASP1
SCHEMBL16273741 0.64 SMN1; SMN2 (0.38) KMT2AGRM2MAPTTSHRSMN1; SMN2
SCHEMBL6919426 0.64 SLC34A1 (0.41) GRM2SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004035564-A1 PYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed