SCHEMBL3475488

SCHEMBL3475488

NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
DRD2 P14416 1/20 0.81
PTGES O14684 9/20 0.76
ALOX5 P09917 8/20 0.71
ALDH1A1 P00352 3/20 0.65
CCNE1 P24864 3/20 0.60
CDK2 P24941 3/20 0.60
AGTR1 P30556 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
AURKA O14965 2/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL10877279 0.91 KDM4E (0.83) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL25221 0.90 KDM4E (1.00) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL287156 0.88 KDM4E (0.97) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL1478078 0.88 KDM4E (0.97) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL12608902 0.87 KDM4E (0.81) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL10577835 0.86 PTGES (1.00) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11257500 0.85 KDM4E (0.77) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11245260 0.84 KDM4E (0.90) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11253903 0.84 KDM4E (0.76) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11166545 0.84 KDM4E (0.90) KDM4EDRD2PTGESALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 WO claimed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 WO claimed
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed