SCHEMBL20125271

SCHEMBL20125271

CC1(C)CCCN1C(=O)c1cc2nccc(C=O)c2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.72
KDM5A P29375 5/20 0.72
KDM5B Q9UGL1 4/20 0.44
PTPN11 Q06124 1/20 0.38
HRH4 Q9H3N8 1/20 0.35
CNR2 P34972 3/20 0.35
SPR P35270 2/20 0.35
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
GRM5 P41594 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
SCHEMBL16148987 0.83 KDM5A (1.00) KDM4CKDM5AKDM5B
SCHEMBL16149052 0.81 KDM5A (0.79) KDM4CKDM5AKDM5BPTPN11CNR2
SCHEMBL20125334 0.80 KDM4C (0.66) KDM4CKDM5AKDM5BPTPN11HRH4
SCHEMBL20125368 0.79 KDM4C (0.68) KDM4CKDM5AKDM5BHRH4
SCHEMBL20125377 0.72 KDM4C (0.73) KDM4CKDM5AKDM5B
SCHEMBL20125439 0.70 KDM4C (0.75) KDM4CKDM5AKDM5B
SCHEMBL16157398 0.65 KDM5A (0.74) KDM4CKDM5AKDM5B
SCHEMBL20125322 0.63 KDM5A (0.62) KDM4CKDM5AKDM5BPTPN11
SCHEMBL20125330 0.63 KDM5B (0.62) KDM4CKDM5AKDM5BPTPN11
SCHEMBL16149664 0.63 KDM5A (0.57) KDM4CKDM5AKDM5BPTPN11HRH4

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