SCHEMBL8812005

SCHEMBL8812005

[CH2]Cc1nc(CO)c(C)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11307460 0.78 GLA (0.35) KDM4EALDH1A1
SCHEMBL5267992 0.73
Hydrochloric Acid SCHEMBL11307967 0.71 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL9377414 0.67 HTT (0.47) KDM4EALDH1A1
SCHEMBL12458919 0.65 HSD17B10 (0.32) KDM4EALDH1A1
SCHEMBL3403574 0.64
SCHEMBL3708487 0.64 ADORA1 (0.43) KDM4E
SCHEMBL443983 0.62 ADORA1 (0.41) KDM4E
SCHEMBL1099825 0.62 PIN1 (0.56) KDM4E
SCHEMBL6649887 0.62 TNKS (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764160-A1 THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
WO-1995034553-A1 THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
EP-0683776-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 EP disclosed