SCHEMBL6813649

SCHEMBL6813649

Cc1c(=O)c(Cc2ccc(F)c(F)c2)cn2nc(C(=O)O)[nH]c12.NCc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
P2RY14 Q15391 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
PDE2A O00408 1/20 0.31
MPO P05164 1/20 0.31
TBXAS1 P24557 1/20 0.30
GPR52 Q9Y2T5 1/20 0.30

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
SCHEMBL6476575 0.91 KDM5A (0.40) KDM5AKDM5BP2RY14ALDH1A1LDHA
SCHEMBL6813645 0.90 FYN (0.36) KDM5AKDM5BP2RY14KDM4EMEN1
SCHEMBL6813648 0.84 NAMPT (0.39) ALDH1A1PDE2A
SCHEMBL6478088 0.78 PTGER4 (0.41) KDM4EALDH1A1
Picolamine SCHEMBL6818607 0.72 PLA2G7 (0.34) ALDH1A1TBXAS1
SCHEMBL6489375 0.72 GRM4 (0.33) KDM5AKDM5BMPO
SCHEMBL6485426 0.71 P2RY14 (0.36) KDM5AKDM5BP2RY14LDHALDHB
SCHEMBL6289368 0.71 KDM5A (0.38) KDM5AKDM5BP2RY14LDHALDHB
SCHEMBL6490897 0.70 KDM5A (0.38) KDM5AKDM5BP2RY14MEN1KMT2A
SCHEMBL6289395 0.66 KDM5A (0.40) KDM5AKDM5BP2RY14PDE2AMPO

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed