SCHEMBL7783117

SCHEMBL7783117

O=[N+]([O-])c1cccc([N+](=O)[O-])c1CCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
S100A4 P26447 2/20 0.42
ACP1 P24666 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CTSD P07339 1/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL383743 0.83 GPR35 (0.52) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL1477561 0.82 ALDH1A1 (0.55) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL28290109 0.79 TDP1 (0.44) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL3840820 0.79 TDP1 (0.53) GPR35TDP1KMT2AMEN1TSHR
SCHEMBL7159890 0.77 GPR35 (0.54) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL284470 0.77 ALDH1A1 (0.43) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL14991413 0.74 KMT2A (0.50) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL14991414 0.74 KMT2A (0.50) GPR35TDP1KMT2AMEN1S100A4
SCHEMBL7783317 0.73 ALDH1A1 (0.49) GPR35TDP1KMT2AMEN1TSHR
SCHEMBL6118566 0.73 TDP1 (0.50) GPR35TDP1KMT2AMEN1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880075-B1 Radiation sensitive resin composition JSR CORP (JP) 2001-10-17 EP disclosed
US-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 US disclosed
EP-0880075-A1 Radiation sensitive resin composition JSR Corporation (JP) 1998-11-25 EP disclosed
EP-0681713-B1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE CLARIANT GMBH (DE) 1998-11-18 EP disclosed
EP-0681713-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP disclosed
WO-1994018606-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOESCHT AKTIENGESELLSCHAFT (DE) 1994-08-18 WO disclosed