SCHEMBL11245260

SCHEMBL11245260

O=C(O)Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.90
DRD2 P14416 1/20 0.90
ALDH1A1 P00352 3/20 0.82
PTGES O14684 9/20 0.78
ALOX5 P09917 8/20 0.78
AGTR1 P30556 1/20 0.58
KMT2A Q03164 1/20 0.58
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
AURKA O14965 3/20 0.55
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
LMNA P02545 1/20 0.51

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
Lonazolac SCHEMBL25221 0.95 KDM4E (1.00) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL11166545 0.94 KDM4E (0.90) KDM4EDRD2ALDH1A1PTGESALOX5
Lonazolac SCHEMBL1478078 0.93 KDM4E (0.97) KDM4EDRD2ALDH1A1PTGESALOX5
Lonazolac SCHEMBL287156 0.93 KDM4E (0.97) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL10407060 0.90 KDM4E (1.00) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL11258042 0.88 KDM4E (0.79) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL11153382 0.86 KDM4E (0.82) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL11156112 0.86 KDM4E (0.76) KDM4EDRD2ALDH1A1PTGESALOX5
Lonazolac SCHEMBL10534707 0.85 KDM4E (0.77) KDM4EDRD2ALDH1A1PTGESALOX5
SCHEMBL10877279 0.85 KDM4E (0.83) KDM4EDRD2ALDH1A1PTGESALOX5

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed