SCHEMBL20125440

SCHEMBL20125440

O=C(c1cc2nccc(C3OC3O)c2[nH]1)N1CCC(c2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.72
KDM5A P29375 2/20 0.66
KDM5B Q9UGL1 2/20 0.66
RAB9A P51151 3/20 0.47
SCD5 Q86SK9 5/20 0.46
SCD O00767 2/20 0.45
RBP4 P02753 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
PROKR1 Q8TCW9 2/20 0.43
NPC1 O15118 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SPR P35270 1/20 0.41

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
SCHEMBL16149299 0.84 KDM4C (1.00) KDM4CKDM5AKDM5BRAB9ASCD5
SCHEMBL16150318 0.80 KDM4C (0.80) KDM4CKDM5AKDM5BRAB9ASCD5
SCHEMBL16151100 0.79 KDM4C (1.00) KDM4CKDM5AKDM5BPROKR1MAPT
SCHEMBL20125366 0.78 KDM4C (0.77) KDM4CKDM5AKDM5BPROKR1MAPT
SCHEMBL20125439 0.78 KDM4C (0.75) KDM4CKDM5AKDM5BPROKR1MAPT
SCHEMBL16149743 0.76 KDM4C (0.81) KDM4CKDM5AKDM5BPROKR1MAPT
SCHEMBL20125329 0.69 KDM4C (0.71) KDM4CKDM5AKDM5BMAPT
SCHEMBL12447335 0.67 RAB9A (0.72) RAB9ASCD5SCDPROKR1NPC1
SCHEMBL24112555 0.66 HRH4 (0.63) KDM4CRAB9ANPC1ATMMAPT
SCHEMBL25770224 0.66 HRH4 (0.63) KDM4CRAB9ANPC1ATMMAPT

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