SCHEMBL7212951

SCHEMBL7212951

CC(C)(C)OC(=O)NCCc1ccc(NC(=O)c2c(Cl)ccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CNR1 P21554 3/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 2/20 0.39
LMNA P02545 2/20 0.39
XBP1 P17861 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7211781 0.91 NAMPT (0.47) NAMPTCNR1SMN1; SMN2CA1CA2
SCHEMBL7217938 0.84 NAMPT (0.49) NAMPTCNR1CA1CA2MAPT
SCHEMBL7216748 0.82 ALDH1A1 (0.45) CA1CA2ALDH1A1MAPTHSP90AA1
SCHEMBL7119944 0.80 RORC (0.55) NAMPTCNR1SMN1; SMN2MEN1KMT2A
SCHEMBL7212958 0.78 NAMPT (0.45) NAMPTCNR1MEN1KMT2AALDH1A1
SCHEMBL7211780 0.77 CXCR2 (0.50) NAMPTCNR1CA1CA2MEN1
SCHEMBL29545958 0.76 LMNA (0.58) NAMPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29546315 0.75 ALDH1A1 (0.48) NAMPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6550860 0.73 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL1717941 0.73 MAPT (0.56) NAMPTCNR1SMN1; SMN2CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP disclosed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed