SCHEMBL27933713

SCHEMBL27933713

Cc1[nH]c(Cc2cc(Cl)ccc2Cl)nc1-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
NPY5R Q15761 2/20 0.36
IKBKB O14920 1/20 0.35
NR1I3 Q14994 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPT P10636 2/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
CCR2 P41597 1/20 0.33
POLB P06746 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL27915187 0.91 HTT (0.40) CYP2A6NPY5RIKBKBNR1I3KDM4E
SCHEMBL3359737 0.89 KDM4E (0.43) IKBKBNR1I3MAPK8MAPK9MAPK10
SCHEMBL28812844 0.88 NPY5R (0.40) NPY5RMAPTKDM4ELMNAPOLB
SCHEMBL2873475 0.88 NPY5R (0.36) NPY5RIKBKBMAPK14MAPT
SCHEMBL28812706 0.87 NPY5R (0.42) NPY5RMAPTLMNACCR2
SCHEMBL3360201 0.85 MAPT (0.44) CYP2A6NPY5RIKBKBNR1I3MAPK8
SCHEMBL27967797 0.84 NPY5R (0.37) NPY5RMAPTKDM4ELMNACCR2
SCHEMBL27933690 0.83 MEN1 (0.37) NPY5RIKBKBNR1I3MAPK8MAPK9
SCHEMBL3362875 0.83 PDE5A (0.45) NPY5RMAPK14TGFBR1TGFBR2CCR2
SCHEMBL27915197 0.83 ADORA2A (0.43) NR1I3MAPTTGFBR1LMNA

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
CN-102131959-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2013-07-17 CN disclosed