SCHEMBL9762894

SCHEMBL9762894

CCN(c1cc(Cl)ccc1OC)C(C)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
MCOLN3 Q8TDD5 2/20 0.44
MAPT P10636 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11318950 0.85 HPGD (0.45) ALDH1A1MCOLN3HCRTR1HCRTR2L3MBTL1
SCHEMBL10797316 0.81 HTT (0.54) HTTALDH1A1PKMMCOLN3MAPT
SCHEMBL11676571 0.74 TSHR (0.43) HTTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL9762898 0.74 HTT (0.46) HTTALDH1A1PKMMCOLN3MAPT
SCHEMBL10797166 0.73 TAAR1 (0.45) HTTALDH1A1MAPTHCRTR2L3MBTL1
SCHEMBL11690507 0.72 CCR5 (0.50) HTTALDH1A1PKMMCOLN3MAPT
SCHEMBL11670505 0.72 TSHR (0.45) HTTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL12046938 0.68 ACHE (0.46) ALDH1A1MCOLN3MAPTHCRTR1HCRTR2
SCHEMBL10797322 0.68 HTT (0.45) HTTPKMMCOLN3MAPTL3MBTL1
SCHEMBL9762907 0.67 KMT2A (0.52) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
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
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed