SCHEMBL6814255

SCHEMBL6814255

CC1=C2N=C(C(=O)O)ON2C(=O)C(Cc2ccc(F)c(F)c2)C1=O.NC(=O)c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
FYN P06241 1/20 0.31
VNN1 O95497 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
SCHEMBL6814261 0.91 MEN1 (0.33) KDM5AKDM5BKDM4CKDM4EMEN1
SCHEMBL6477879 0.90 KDM5A (0.33) KDM5AKDM5BKDM4CALDH1A1
SCHEMBL6814257 0.82 NAMPT (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6664689 0.73 PSEN1 (0.43) KDM5AKDM5BKDM4CKDM4EMEN1
SCHEMBL6486635 0.69 P2RY14 (0.32) ALDH1A1
SCHEMBL6477074 0.69 CES2 (0.33) KDM5AKDM5BKDM4CALDH1A1
SCHEMBL6669268 0.68 ROCK2 (0.38) KDM5AKDM5BKDM4CMEN1KMT2A
SCHEMBL6813861 0.66 CES2 (0.36) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6484477 0.65 HCAR3 (0.32) ALDH1A1KMT2A
SCHEMBL6482492 0.64 DAO (0.34) KDM5AKDM5BALDH1A1

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