SCHEMBL7758285

SCHEMBL7758285

O=S(=O)(c1ccc([Bi](c2ccc(S(=O)(=O)N(CCO)CCO)cc2S(=O)(=O)N(CCO)CCO)c2ccc(S(=O)(=O)N(CCO)CCO)cc2S(=O)(=O)N(CCO)CCO)c(S(=O)(=O)N(CCO)CCO)c1)N(CCO)CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
VCAM1 P19320 2/20 0.49
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
MMP1 P03956 3/20 0.40
MMP7 P09237 3/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
SERPINE1 P05121 1/20 0.39
RAF1 P04049 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
PRKCA P17252 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7757737 0.79 SMN1; SMN2 (0.45) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL7757769 0.74 VCAM1 (0.36) SMN1; SMN2VCAM1NPC1SERPINE1KDM4E
SCHEMBL2835133 0.69 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL6676536 0.69 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL6257441 0.69 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL8157313 0.69 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL218536 0.69 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL11686046 0.69 VCAM1 (0.63) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL11685605 0.69 VCAM1 (0.59) SMN1; SMN2VCAM1GAANPC1MMP1
SCHEMBL3622125 0.69 SMN1; SMN2 (0.67) SMN1; SMN2VCAM1GAANPC1MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716091-B1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-03-21 EP disclosed
US-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0716091-A1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-06-12 EP disclosed