SCHEMBL10799644

SCHEMBL10799644

COc1ccc(Cl)cc1N(CCO)CC(O)CS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
PKM P14618 1/20 0.40
MCOLN3 Q8TDD5 3/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CASP6 P55212 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL10797322 0.82 HTT (0.45) HTTPKMMCOLN3MAPTKDM4E
SCHEMBL7891091 0.80 HTT (0.45) HTTPKMMCOLN3MAPTALDH1A1
SCHEMBL9762898 0.73 HTT (0.46) HTTPKMMCOLN3MAPTALDH1A1
SCHEMBL9762757 0.70 MEN1 (0.50) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10798802 0.68 MAPT (0.46) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL10797316 0.68 HTT (0.54) HTTPKMMCOLN3MAPTALDH1A1
SCHEMBL10800227 0.67 KMT2A (0.52) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8650210 0.67 LMNA (0.44) HTTPOLBMEN1KMT2ANPSR1
SCHEMBL11690507 0.67 CCR5 (0.50) HTTPKMMCOLN3MAPTALDH1A1
SCHEMBL12722192 0.67 HTT (0.52) HTTPKMMCOLN3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0051807-B1 WATER-SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 EP disclosed
EP-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
EP-0051808-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed