SCHEMBL4392566

SCHEMBL4392566

N=C(NN)c1cccc(-c2n[nH]c(=O)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 0.55
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
Hydrochloric Acid SCHEMBL4396927 0.99 NOTUM (0.53) NOTUMKDM4EGAARXFP1
SCHEMBL4394676 0.71 NOTUM (0.51) NOTUMKDM4EGAA
SCHEMBL18395243 0.71 NOTUM (1.00) NOTUM
SCHEMBL13050395 0.71 NOTUM (0.67) NOTUMKDM4ERXFP1
SCHEMBL8270247 0.71 NOTUM (1.00) NOTUM
SCHEMBL2291570 0.71 NOTUM (0.67) NOTUM
Hydrochloric Acid SCHEMBL4404537 0.70 NOTUM (0.50) NOTUMKDM4EGAA
SCHEMBL5542637 0.69 NOTUM (1.00) NOTUMKDM4ERXFP1
SCHEMBL2853839 0.69 KDM4E (0.42) KDM4E
SCHEMBL13050396 0.69 NOTUM (0.63) NOTUM

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
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed