SCHEMBL7078057

SCHEMBL7078057

COC(=O)CC(CS(=O)(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
ALOX5 P09917 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PKM P14618 1/20 0.42
SRD5A2 P31213 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7078648 0.89 FNTA (0.54) HSD11B1KMT2AMAPK1FNTAFNTB
SCHEMBL7073742 0.87 KMT2A (0.45) HSD11B1KMT2APOLBFNTAFNTB
SCHEMBL7136223 0.83 KMT2A (0.42) HSD11B1KMT2AMAPK1FNTAFNTB
SCHEMBL7079158 0.82 SMN1; SMN2 (0.43) KMT2APOLBMAPTHPGDALDH1A1
SCHEMBL7073376 0.81 ALDH1A1 (0.46) HSD11B1KMT2ACA12CA9CA14
SCHEMBL7073310 0.80 NFE2L2 (0.49) KMT2AMAPK1MAPTALDH1A1MEN1
SCHEMBL7073308 0.80 NFE2L2 (0.49) KMT2AMAPK1MAPTALDH1A1MEN1
SCHEMBL7079059 0.79 ALDH1A1 (0.45) HSD11B1KMT2APOLBFNTAFNTB
SCHEMBL7079124 0.79 ALDH1A1 (0.45) HSD11B1KMT2APOLBFNTAFNTB
SCHEMBL7077837 0.77 ALDH1A1 (0.45) KMT2APKMCA12CA9CA14

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