SCHEMBL6814261

SCHEMBL6814261

CC1=C2N=C(C(=O)O)ON2C(=O)C(Cc2ccc(F)c(F)c2)C1=O.NCc1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
SSTR5 P35346 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
SCHEMBL6477879 0.91 KDM5A (0.33) ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL6814255 0.91 KDM5A (0.33) MEN1KMT2AKDM4EALDH1A1NCOA1
SCHEMBL6814257 0.84 NAMPT (0.39) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6477074 0.70 CES2 (0.33) ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL6486635 0.70 P2RY14 (0.32) ALDH1A1
SCHEMBL7063737 0.69 KLKB1 (0.39)
SCHEMBL6822205 0.67 LOXL2 (0.39) KDM5AKDM4CKDM5B
SCHEMBL6484477 0.65 HCAR3 (0.32) KMT2AALDH1A1
SCHEMBL6477346 0.64 CES2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL6482492 0.64 DAO (0.34) ALDH1A1KDM5AKDM5B

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