SCHEMBL7198696

SCHEMBL7198696

CS(=O)(=O)c1ccsc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.58
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.36
LOX P28300 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
SCHEMBL3194249 0.81 PTGS2 (0.44) PTGS2KMT2ATP53KDM4E
SCHEMBL7173940 0.81 PTGS2 (0.46) PTGS2EDNRBEDNRAKMT2ATP53
SCHEMBL3016461 0.81 PTGS2 (0.46) PTGS2EDNRBEDNRAKMT2ATP53
SCHEMBL7149516 0.80 PTGS2 (0.46) PTGS2EDNRBEDNRAKMT2ATP53
SCHEMBL29415408 0.71 PTGS2 (0.61) PTGS2EDNRBEDNRAKMT2AALDH1A1
SCHEMBL937206 0.71 PTGS2 (0.61) PTGS2EDNRBEDNRAKMT2AALDH1A1
SCHEMBL28543127 0.71 CA2 (0.44) PTGS2
SCHEMBL2447766 0.69 PTGS2 (0.64) PTGS2ALDH1A1KDM4EMAOALOX
Hydrochloric Acid SCHEMBL7352630 0.69 PTGS2 (0.59) PTGS2EDNRBEDNRAKMT2AALDH1A1
SCHEMBL8798623 0.69 PTGS2 (0.68) PTGS2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339428-A1 INHALATION OF NITRIC OXIDE AGA AB (SE) 2003-09-03 EP disclosed
WO-2002040052-A1 INHALATION OF NITRIC OXIDE AGA AB (SE) 2002-05-23 WO disclosed