SCHEMBL10776183

SCHEMBL10776183

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MMP1 P03956 3/20 0.39
MMP7 P09237 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
ACE P12821 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 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
SCHEMBL11127400 0.92 SMN1; SMN2 (0.36) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL11372342 0.86 HSD11B1 (0.35) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL11208829 0.85 ALDH1A1 (0.42) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL10372020 0.80 SMN1; SMN2 (0.43) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL28023638 0.73 PSIP1 (0.50) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL28023657 0.70 SMN1; SMN2 (0.50) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL11147306 0.70 ALDH1A1 (0.42) ALDH1A1MMP1MMP7MMP12MMP13
SCHEMBL11119282 0.70 HTR6 (0.38) ALDH1A1MMP13SMN1; SMN2HTTHSD11B1
SCHEMBL1153027 0.70 ALDH1A1 (0.48) ALDH1A1MMP1MMP13ATMSMN1; SMN2
SCHEMBL9849677 0.69 HTR6 (0.50) ALDH1A1MMP1MMP13SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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