SCHEMBL20125308

SCHEMBL20125308

COC(=O)c1ccnc2cc(C(=O)N3CCC4=C3C=CCC4)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.48
KDM5A P29375 14/20 0.45
KDM5B Q9UGL1 10/20 0.45
PTPN11 Q06124 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL20125306 0.88 KDM4C (0.62) KDM4CKDM5AKDM5B
SCHEMBL16149210 0.78 KDM4C (0.78) KDM4CKDM5AKDM5B
SCHEMBL16150308 0.76 KDM4C (0.74) KDM4CKDM5AKDM5BPTPN11HRH4
SCHEMBL16149305 0.75 KDM4C (0.79) KDM4CKDM5AKDM5B
SCHEMBL16149664 0.74 KDM5A (0.57) KDM4CKDM5AKDM5BPTPN11HRH4
SCHEMBL16150940 0.73 KDM4C (0.78) KDM4CKDM5AKDM5B
SCHEMBL16149052 0.72 KDM5A (0.79) KDM4CKDM5AKDM5BPTPN11
SCHEMBL20125278 0.72 KDM4C (0.57) KDM4CKDM5AKDM5BHRH4DRD3
SCHEMBL16150318 0.69 KDM4C (0.80) KDM4CKDM5AKDM5B
SCHEMBL16149743 0.68 KDM4C (0.81) KDM4CKDM5AKDM5B

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