SCHEMBL20125489

SCHEMBL20125489

N#CCCc1cc2nccc(C=O)c2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 11/20 0.63
KDM5A P29375 10/20 0.63
KDM4C Q9H3R0 8/20 0.38
KDM4A O75164 2/20 0.38
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL20125363 0.79 KDM5B (0.60) KDM5BKDM5AKDM4CKDM4A
SCHEMBL16150754 0.77 KDM5B (1.00) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125266 0.75 KDM5B (0.61) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125409 0.75 KDM5B (0.65) KDM5BKDM5AKDM4CKDM4A
SCHEMBL16149748 0.74 KDM5B (0.74) KDM5BKDM5AKDM4CKDM4A
SCHEMBL5545990 0.72 SLC22A12 (0.51) KDM5BKDM5ASLC22A12
SCHEMBL20125477 0.72 KDM4A (0.65) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125365 0.71 KDM5A (0.56) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125267 0.71 KDM5B (0.65) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125343 0.70 KDM4C (0.49) KDM5BKDM5AKDM4CKDM4A

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed