SCHEMBL8488363

SCHEMBL8488363

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1F)OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.38
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 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
SCHEMBL8488939 0.92 NAMPT (0.35) NAMPTKMT2AKDM4EALDH1A1ALOX15
SCHEMBL8485019 0.91 NAMPT (0.42) NAMPTKMT2AKDM4EALDH1A1ALOX15
SCHEMBL8486426 0.88 NAMPT (0.41) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8488436 0.86 NAMPT (0.40) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8489290 0.86 KMT2A (0.36) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8488360 0.83 NAMPT (0.40) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9249466 0.82 NAMPT (0.47) NAMPT
SCHEMBL8488725 0.76 MAPT (0.38) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL8489294 0.75 NAMPT (0.36) NAMPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9298837 0.75 NAMPT (0.43) NAMPT

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