SCHEMBL7079158

SCHEMBL7079158

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 7/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
AGTR1 P30556 1/20 0.41
CXCR3 P49682 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7077874 0.86 F2 (0.46) SMN1; SMN2ALDH1A1F2F10PRSS1
SCHEMBL7073310 0.85 NFE2L2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL7073308 0.85 NFE2L2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL7078057 0.82 HSD11B1 (0.48) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7078648 0.82 FNTA (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7077585 0.81 F2 (0.41) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7073742 0.79 KMT2A (0.45) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7073376 0.77 ALDH1A1 (0.46) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7073328 0.77 ALDH1A1 (0.40) L3MBTL1ALDH1A1F2F10PRSS1
SCHEMBL7074301 0.77 AOC3 (0.39) SMN1; SMN2HTTALDH1A1F2F10

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed