SCHEMBL6736660

SCHEMBL6736660

COC(=O)c1c(Cl)ccc(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
PTGS2 P35354 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABL1 P00519 1/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40

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
SCHEMBL6742562 0.86 GUSB (0.45) GUSBKDM4EALDH1A1HSD17B10PTGS2
SCHEMBL10364322 0.85 CA12 (0.47) GUSBKDM4EALDH1A1HSD17B10CA12
SCHEMBL30582332 0.84 ABL1 (0.46) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL6137831 0.84 ABL1 (0.46) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL18688327 0.81 ALDH1A1 (0.40) GUSBKDM4EALDH1A1HSD17B10CA12
SCHEMBL8006897 0.80 CA12 (0.57) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL950473 0.79 KDM4E (0.53) KDM4EALDH1A1HSD17B10PTGS2TSHR
SCHEMBL6741177 0.79 POLB (0.43) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL30856057 0.79 CA12 (0.41) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL543638 0.79 ABL1 (0.45) GUSBKDM4EALDH1A1HSD17B10CA12

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 2 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
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed