SCHEMBL8488939

SCHEMBL8488939

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1C)OC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.35
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
APP P05067 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8488363 0.92 NAMPT (0.38) NAMPTALOX15KMT2AMAPTAPP
SCHEMBL8485019 0.92 NAMPT (0.42) NAMPTALOX15KMT2AMAPTAPP
SCHEMBL8486426 0.89 NAMPT (0.41) NAMPTKMT2AMAPTHDAC1HDAC2
SCHEMBL8489290 0.83 KMT2A (0.36) NAMPTKMT2AAPPHDAC1HDAC2
SCHEMBL8488436 0.83 NAMPT (0.40) NAMPTKMT2AMAPTAPPHDAC1
SCHEMBL8488936 0.82 NAMPT (0.38) NAMPTKMT2A
SCHEMBL9299503 0.82 NAMPT (0.44) NAMPT
SCHEMBL9298837 0.79 NAMPT (0.43) NAMPT
SCHEMBL9389133 0.78 NAMPT (0.36) NAMPT
SCHEMBL5734367 0.78

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