SCHEMBL20125368

SCHEMBL20125368

O=Cc1ccnc2cc(C(=O)N3CCCCC3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.68
KDM5A P29375 4/20 0.68
KDM5B Q9UGL1 3/20 0.68
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.48
HRH4 Q9H3N8 2/20 0.44
PLA2G7 Q13093 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 1/20 0.39
SYK P43405 1/20 0.39
GRIA3 P42263 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
SCHEMBL20125334 0.99 KDM4C (0.66) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL20125439 0.82 KDM4C (0.75) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL16148830 0.81 KDM5A (1.00) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL16157351 0.80 KDM5A (0.97) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL20125271 0.79 KDM4C (0.72) KDM4CKDM5AKDM5BHRH4
SCHEMBL16150308 0.77 KDM4C (0.74) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL20125377 0.77 KDM4C (0.73) KDM4CKDM5AKDM5BMAPTHPGD
SCHEMBL4268287 0.73 MAPT (0.60) KDM4CKDM5AKDM5BMAPTLMNA
SCHEMBL16157398 0.68 KDM5A (0.74) KDM4CKDM5AKDM5B
SCHEMBL20125363 0.67 KDM5B (0.60) 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