SCHEMBL7073310

SCHEMBL7073310

COC(=O)CC(CS(=O)(=O)c1ccc(C=Cc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.49
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SNCA P37840 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL7073308 1.00 NFE2L2 (0.49) NFE2L2CYP19A1GAATRPV1MAPT
SCHEMBL7079158 0.85 SMN1; SMN2 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7078057 0.80 HSD11B1 (0.48) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL7078648 0.80 FNTA (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7073742 0.78 KMT2A (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7073376 0.76 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL8357377 0.75 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL7079124 0.75 ALDH1A1 (0.45) GAAALDH1A1MEN1KMT2A
SCHEMBL7079059 0.75 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7136223 0.75 KMT2A (0.42) MAPTALDH1A1MEN1KMT2AMAPK1

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