SCHEMBL9174682

SCHEMBL9174682

Nc1cc(NC(=O)CCCS(=O)(=O)CCCl)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TERT O14746 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 5/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC4 P56524 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37

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
SCHEMBL9171096 0.91 CTDSP1 (0.41) CASP3MEN1KMT2ATERTHDAC6
SCHEMBL10802551 0.86 CASP3 (0.48) CASP3MEN1KMT2ATERTNPC1
SCHEMBL20612737 0.86 HDAC3 (0.46) CASP3MEN1KMT2AHDAC6HDAC1
SCHEMBL20612655 0.84 MEN1 (0.37) CASP3MEN1KMT2ATERTHDAC6
SCHEMBL20612736 0.83 HDAC3 (0.46) MEN1KMT2AHDAC6HDAC1HDAC4
SCHEMBL10480155 0.83 HDAC3 (0.37) HDAC6CA1CA2HDAC1HDAC4
SCHEMBL9175059 0.82 MEN1 (0.41) CASP3MEN1KMT2ATERTNPC1
SCHEMBL10797473 0.81 TERT (0.41) MEN1KMT2ATERTNPC1RAB9A
SCHEMBL8774913 0.81 MEN1 (0.50) MEN1KMT2ARAB9AHDAC6CA1
SCHEMBL10797634 0.81 PRMT1 (0.51) CASP3NPC1RAB9A

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-2694473-B1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADV MAT SWITZERLAND (CH) 2019-01-02 EP disclosed
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 WO disclosed
EP-0374758-B1 Water soluble dyes, methods for their preparation and their use HOECHST AG (DE) 1995-05-31 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-5243034-A Disazo dyestuffs having a triazine moiety and a fiberreactive group of vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 US 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