SCHEMBL9867700

SCHEMBL9867700

COc1ccc(-c2nsc([S+](N)[O-])n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
MAPT P10636 9/20 0.42
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
XDH P47989 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL14488395 0.76 ADORA3 (0.54) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2578415 0.76 ADORA3 (0.59) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL10631566 0.74 ADORA3 (0.44) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL10631561 0.74 ADORA3 (0.44) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1180509 0.74 CYP19A1 (0.59) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL20320398 0.74 ADORA3 (0.55) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL9867568 0.72 ADORA3 (0.54) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL9867822 0.72 MAPT (0.55) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL9867503 0.71 ADORA3 (0.52) ADORA3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL9107820 0.70 ADORA3 (0.58) ADORA3MAPTTP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed