SCHEMBL10372020

SCHEMBL10372020

O=C(Cl)CC(Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 6/20 0.41
MMP1 P03956 3/20 0.40
MMP7 P09237 3/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
ACE P12821 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD11B1 P28845 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DUSP3 P51452 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
SCHEMBL11127400 0.91 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1MMP1MMP7
SCHEMBL11147306 0.87 ALDH1A1 (0.42) SMN1; SMN2TSHRALDH1A1MMP1MMP7
SCHEMBL11126326 0.87 HSD11B1 (0.37) SMN1; SMN2TSHRALDH1A1HTTHSD17B10
SCHEMBL10776183 0.80 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1MMP1MMP7
SCHEMBL5685882 0.77 MMP12 (0.41) SMN1; SMN2TSHRALDH1A1MMP1MMP7
SCHEMBL7755523 0.76 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1ATMHTT
SCHEMBL3701827 0.75 PSIP1 (0.50) SMN1; SMN2TSHRALDH1A1MMP1MMP7
SCHEMBL27916184 0.72 SMN1; SMN2 (0.44) SMN1; SMN2TSHRALDH1A1MMP1MMP13
SCHEMBL7755517 0.72 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1ATMHTT
SCHEMBL28023019 0.72 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 EP disclosed
EP-0316722-A2 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
EP-0076410-B1 REACTIVE ANTHRAQUINONE DYES BAYER AG (DE) 1987-04-08 EP disclosed
EP-0043465-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS CONTAINING HYDROXYLE GROUPS OR NITROGEN BAYER AG (DE) 1984-05-16 EP disclosed
EP-0028351-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS CONTAINING OH OR NH BAYER AG (DE) 1984-02-22 EP disclosed
EP-0025887-B1 SULFONYLCARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1983-09-21 EP disclosed
EP-0076410-A2 Reactive anthraquinone dyes BAYER AG (DE) 1983-04-13 EP disclosed
EP-0024668-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING AND PRINTING HYDROXYL GROUPS AND NITROGEN CONTAINING MATERIALS BAYER AG (DE) 1983-04-13 EP disclosed
EP-0075808-A2 3,6-Dioxo-1,2-dihydro-7H-pyrazolo(3,4-b)pyridine dyes BAYER AG (DE) 1983-04-06 EP disclosed
US-4338262-A INTERMEDIATES FOR PREPARATION OF REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1982-07-06 US disclosed
EP-0043465-A2 Reactive dyestuffs and their use in dyeing and printing fibre materials containing hydroxyle groups or nitrogen BAYER AG (DE) 1982-01-13 EP disclosed
EP-0028351-A2 Reactive dyestuffs and their use in dyeing materials containing OH or NH BAYER AG (DE) 1981-05-13 EP disclosed
EP-0024668-A2 Reactive dyestuffs and their use in dyeing and printing hydroxyl groups and nitrogen containing materials BAYER AG (DE) 1981-03-11 EP disclosed