SCHEMBL6739501

SCHEMBL6739501

Cc1ccc(Cl)c(N)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CLCN2 P51788 1/20 0.40
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PKMYT1 Q99640 4/20 0.36
RIPK2 O43353 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
EPHB4 P54760 1/20 0.36
CDC7 O00311 1/20 0.36
EEF2K O00418 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36

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
SCHEMBL6741177 0.84 POLB (0.43) POLBCLCN2TSHRCYP3A4HSD17B10
SCHEMBL17829704 0.83 POLB (0.41) POLBTSHRCYP3A4HSD17B10PKMYT1
SCHEMBL27432701 0.79 CYP3A4 (0.34) CLCN2TSHRCYP3A4HSD17B10MAPT
SCHEMBL6742562 0.79 GUSB (0.45) TSHRCYP3A4HSD17B10KMT2AMAPT
SCHEMBL27679701 0.78 POLB (0.42) POLBCLCN2TSHRHSD17B10PKMYT1
SCHEMBL31307651 0.78 POLB (0.48) POLBTSHRCYP3A4HSD17B10PKMYT1
SCHEMBL4640149 0.78 CLCN2 (0.47) POLBCLCN2TSHRCYP3A4HSD17B10
SCHEMBL28060147 0.78 PKMYT1 (0.42) POLBTSHRHSD17B10PKMYT1CDK1
SCHEMBL17825685 0.76 POLB (0.36) POLBPKMYT1KMT2AKDRLIMK1
SCHEMBL3823076 0.74 POLB (0.42) POLBCLCN2TSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683213-B1 CHEMICAL INTERMEDIATES FOR PYRIDINEDICARBOXAMIDE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1165496-B1 SUBSTITUTED ANILINE COMPOUNDS BASF AG (DE) 2003-07-09 EP disclosed
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
CN-1345304-A Substituted aniline compounds BASF AG (DE) 2002-04-17 CN disclosed
EP-1165515-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-1165496-A1 SUBSTITUTED ANILINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000059868-A1 SUBSTITUTED ANILINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000058288-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed