SCHEMBL8489294

SCHEMBL8489294

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1Br)c1cccc(C(=O)O)c1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.36
TYMS P04818 3/20 0.35
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8488439 0.91 NAMPT (0.43) NAMPTKMT2AALDH1A1
SCHEMBL8485127 0.89 EIF4EBP1 (0.34) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL8488360 0.88 NAMPT (0.40) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8488936 0.86 NAMPT (0.38) NAMPTKMT2A
SCHEMBL9389115 0.86 NAMPT (0.36) NAMPT
SCHEMBL9389133 0.86 NAMPT (0.36) NAMPT
SCHEMBL9299312 0.84 TYMS (0.46) NAMPTTYMS
SCHEMBL9389148 0.83
SCHEMBL9388293 0.82 NAMPT (0.45) NAMPTTYMS
SCHEMBL8489290 0.82 KMT2A (0.36) NAMPTTYMSKMT2AKDM4EMEN1

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
US-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed