SCHEMBL14782174

SCHEMBL14782174

COC(=O)c1ccnc(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KDM3A Q9Y4C1 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMO O15229 10/20 0.44
KDM5A P29375 1/20 0.42
JMJD1C Q15652 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL27888086 0.81 CYP1A2 (0.57) KDM4EL3MBTL1KMOALDH1A1CYP1A2
SCHEMBL17674527 0.81 HPGDS (0.41) KMO
SCHEMBL87765 0.81 KDM4E (0.55) KDM4EKDM3AKDM6BKDM5CKDM4C
SCHEMBL31126262 0.81 KDM4E (0.55) KDM4EKDM3AKDM6BKDM5CKDM4C
Hydrochloric Acid SCHEMBL21173938 0.79 KDM4E (0.53) KDM4EKDM3AKDM6BKDM5CKDM4C
Bromide SCHEMBL21331919 0.79 KDM4E (0.53) KDM4EKDM3AKDM6BKDM5CKDM4C
Fluoride SCHEMBL21332111 0.79 KDM4E (0.53) KDM4EKDM3AKDM6BKDM5CKDM4C
SCHEMBL164625 0.78 MAPK1 (0.46) KDM4EKDM3AKDM6BKDM5CKDM4C
SCHEMBL4384494 0.78 MAPK1 (0.46) KDM4EKDM3AKDM6BKDM5CKDM4C
SCHEMBL15500861 0.76 MAPT (0.46) KDM4EKDM3AKDM6BKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755942-A2 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a Body Corporate of the State of Arizona acting for and on behalf of Arizona State University (US) 2014-07-23 EP disclosed
WO-2013040227-A2 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-03-21 WO disclosed