SCHEMBL8359555

SCHEMBL8359555

O=C(O)CC(CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(NC3=NCCS3)cc2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GLA P06280 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
AOC3 Q16853 1/20 0.38
LMNA P02545 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPY1R P25929 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL7136763 0.78 GLA (0.34) POLBGLANPC1RAB9ASMN1; SMN2
SCHEMBL7077670 0.77 LMNA (0.44) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7074301 0.77 AOC3 (0.39) POLBGLANPC1RAB9ASMN1; SMN2
SCHEMBL7074971 0.74 GABBR2 (0.34) SMN1; SMN2TP53MAPTMAPK1
SCHEMBL7080823 0.74 GABBR2 (0.49) POLBNPC1SMN1; SMN2MAPTKMT2A
SCHEMBL8909238 0.73 GABBR2 (0.56) MAPTKMT2AMEN1
SCHEMBL7135413 0.73 GRM4 (0.53) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL7078041 0.72 RORC (0.47) LMNA
SCHEMBL7077928 0.72 NPY1R (0.39) NPC1RAB9AMAPTHPGDKMT2A
SCHEMBL8357377 0.71 ALDH1A1 (0.44) POLBNPC1RAB9ASMN1; SMN2TP53

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