SCHEMBL20125366

SCHEMBL20125366

O=C(c1cc2nccc(C(O)O)c2[nH]1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.77
KDM5A P29375 2/20 0.77
KDM5B Q9UGL1 2/20 0.77
PROKR1 Q8TCW9 7/20 0.52
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL16151100 0.87 KDM4C (1.00) KDM4CKDM5AKDM5BPROKR1ALDH1A1
SCHEMBL20125439 0.85 KDM4C (0.75) KDM4CKDM5AKDM5BPROKR1ALDH1A1
SCHEMBL16149743 0.83 KDM4C (0.81) KDM4CKDM5AKDM5BPROKR1ALDH1A1
SCHEMBL16149299 0.82 KDM4C (1.00) KDM4CKDM5AKDM5BPROKR1
SCHEMBL20125440 0.78 KDM4C (0.72) KDM4CKDM5AKDM5BPROKR1ALDH1A1
SCHEMBL16150318 0.78 KDM4C (0.80) KDM4CKDM5AKDM5BPROKR1
SCHEMBL16157351 0.69 KDM5A (0.97) KDM4CKDM5AKDM5BTP53MAPT
SCHEMBL16445744 0.68 PROKR1 (1.00) PROKR1
SCHEMBL16148830 0.68 KDM5A (1.00) KDM4CKDM5AKDM5BTP53MAPT
SCHEMBL20074605 0.67 KDM5A (0.54) KDM4CKDM5AKDM5BPROKR1

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