SCHEMBL8485019

SCHEMBL8485019

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1Cl)OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.42
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.34
APP P05067 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALOX15 P16050 1/20 0.33

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) NAMPTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8488363 0.91 NAMPT (0.38) NAMPTALDH1A1MAPTKDM4EKMT2A
SCHEMBL8488436 0.90 NAMPT (0.40) NAMPTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8486426 0.88 NAMPT (0.41) NAMPTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8489290 0.81 KMT2A (0.36) NAMPTALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL8488439 0.81 NAMPT (0.43) NAMPTALDH1A1MAPTSMN1; SMN2KMT2A
Benzoic Acid SCHEMBL8489705 0.78 ALDH1A1 (0.40) NAMPTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8489699 0.77 ALDH1A1 (0.37) NAMPTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8488725 0.76 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL8489042 0.75 GAA (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD

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