SCHEMBL8932346

SCHEMBL8932346

CCc1ccc(Cl)c(C(N)=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
RIPK2 O43353 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CDC7 O00311 2/20 0.34
PLK4 O00444 2/20 0.34
ROCK2 O75116 2/20 0.34
PRKD3 O94806 2/20 0.34
MAP4K4 O95819 2/20 0.34
INSR P06213 2/20 0.34
CDK1 P06493 2/20 0.34
ROS1 P08922 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 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
SCHEMBL8732701 0.88 PRKCI (0.39) SLC6A2SLC6A4SLC6A3RIPK2DPP4
SCHEMBL3457088 0.85 DPP4 (0.47) DPP4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL27989434 0.83 CLCN2 (0.41) SLC6A2SLC6A4SLC6A3DPP4KDM4E
SCHEMBL9017628 0.78 POLB (0.37) SLC6A2SLC6A4SLC6A3RIPK2KDM4E
SCHEMBL2852286 0.78 TSHR (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10
SCHEMBL23073670 0.77 PRKCI (0.39) SLC6A2SLC6A4SLC6A3RIPK2KDM4E
SCHEMBL6741177 0.77 POLB (0.43) RIPK2DPP4KDM4EALDH1A1HSD17B10
SCHEMBL8932344 0.76 CCNC (0.35) RIPK2DPP4KDM4EALDH1A1HSD17B10
SCHEMBL206143 0.75 DPP4 (0.42) DPP4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL9366157 0.74 CTRC (0.38) SLC6A4CSNK2A1CLCN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed