SCHEMBL7074301

SCHEMBL7074301

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc(NC3=NCCS3)c2)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 3/20 0.39
POLB P06746 2/20 0.38
NPY1R P25929 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7077928 0.95 NPY1R (0.39) AOC3F2F10PRSS1NPY1R
SCHEMBL7073328 0.85 ALDH1A1 (0.40) F2F10PRSS1KMT2AALDH1A1
SCHEMBL8357377 0.82 ALDH1A1 (0.44) F2F10PRSS1POLBNPY1R
SCHEMBL7079112 0.79 F10 (0.41) F2F10PRSS1KMT2AALDH1A1
SCHEMBL7077874 0.78 F2 (0.46) F2F10PRSS1ALDH1A1SMN1; SMN2
SCHEMBL8359555 0.77 POLB (0.46) AOC3POLBNPY1RKMT2AMAPT
SCHEMBL7079158 0.77 SMN1; SMN2 (0.43) F2F10PRSS1POLBKMT2A
SCHEMBL7077670 0.76 LMNA (0.44) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL7131622 0.75 MMP2 (0.33) AOC3KMT2AALDH1A1LMNA
SCHEMBL7077585 0.74 F2 (0.41) F2F10PRSS1KMT2AALDH1A1

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