SCHEMBL6821646

SCHEMBL6821646

CC(=O)Nc1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 5/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALB P02768 2/20 0.36
HSD17B10 Q99714 1/20 0.35
LRRK2 Q5S007 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
GRM5 P41594 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
MAPK14 Q16539 1/20 0.34
GRM4 Q14833 1/20 0.34
CDK2 P24941 1/20 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
SCHEMBL6818611 0.97 KDM4E (0.37) KDM4EKMT2AMEN1HTTHIF1A
SCHEMBL6817836 0.90 ALB (0.38) KDM4EKMT2AMEN1HTTHIF1A
SCHEMBL6818783 0.89 ALB (0.35) KDM4EKMT2AHIF1APKMALB
SCHEMBL6821949 0.89 ALB (0.37) KDM4EHIF1AALBHSD17B10GSK3A
SCHEMBL6818019 0.89 KDM4E (0.38) KDM4EKMT2AMEN1HTTHIF1A
SCHEMBL6818175 0.87 ALB (0.36) KDM4EHIF1AALBHSD17B10GSK3A
SCHEMBL6818190 0.87 ALB (0.35) KDM4EKMT2AHIF1APKMALB
SCHEMBL6818765 0.86 ALB (0.37) KDM4EKMT2AHTTHIF1AALDH1A1
SCHEMBL6821784 0.86 HIF1A (0.38) KDM4EKMT2AHTTHIF1AALDH1A1
SCHEMBL6817465 0.85 GSK3A (0.37) KDM4EHIF1AALDH1A1ALBHSD17B10

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed