SCHEMBL8528510

SCHEMBL8528510

C=CS(=O)(=O)c1c[c]ccc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
HTR6 P50406 1/20 0.34
NFE2L2 Q16236 7/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL2687430 0.81 GSK3B (0.40) SMN1; SMN2HTR6ALDH1A1LMNAMAPT
SCHEMBL1791418 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HTR6ALDH1A1TSHRMAPK1
SCHEMBL6069944 0.77 CA2 (0.50) SMN1; SMN2HTR6ALDH1A1PKMCA12
SCHEMBL28078917 0.77 TRPV4 (0.47) SMN1; SMN2HTR6NFE2L2NPC1ALDH1A1
SCHEMBL5248910 0.75 HTR6 (0.55) HTR6NFE2L2NPC1TSHRKCNH2
SCHEMBL9809420 0.74 TDP1 (0.33) SMN1; SMN2NPC1ALDH1A1LMNATP53
SCHEMBL28699989 0.72 HTR6 (0.65) HTR6ALDH1A1TP53HSD17B10PKM
SCHEMBL11327832 0.71 L3MBTL1 (0.58) SMN1; SMN2ALDH1A1LMNATP53MAPT
SCHEMBL10405334 0.70 ALDH1A1 (0.37) SMN1; SMN2HTR6ALDH1A1LMNATP53
SCHEMBL6069951 0.70 CA2 (0.46) ALDH1A1PKMCA12CA1CA2

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-0629666-B1 Water-soluble azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-12-02 EP disclosed
US-5548072-A FOR WOOL, POLYAMIDES, CELLULOSE AND COTTON HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-20 US disclosed
EP-0629666-A1 Water-soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed
EP-0377166-B1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AG (DE) 1994-03-02 EP disclosed
US-5138041-A Water-soluble fiber-reactive monoazo and disazo dyestuffs having a s-triazinylamino group and three fiber-reactive groups of the vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0377166-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-11 EP disclosed