SCHEMBL8019428

SCHEMBL8019428

CC(=O)Nc1cc(N)c(S(=O)(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ CASR P41180 1/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ENPP2 Q13822 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
SCHEMBL10394708 0.87 NPC1 (0.42) CYP3A4CYP2C19POLBNPC1CASP6
SCHEMBL10535182 0.87 NPC1 (0.44) CYP2C19POLBNPC1CASRCASP6
SCHEMBL1939964 0.83 NPC1 (0.44) CYP3A4CYP2C19POLBNPC1CASR
SCHEMBL11597344 0.83 CA1 (0.50) NPC1CASP6PHLPP2CA1CA2
SCHEMBL11592919 0.83 CA2 (0.51) NPC1CASRCASP6ALDH1A1PHLPP2
SCHEMBL11650917 0.82 CASR (0.39) CYP3A4CYP2C19POLBNPC1CASR
SCHEMBL11692298 0.81 SMN1; SMN2 (0.52) CYP2C19CASRALDH1A1HPGDHDAC3
SCHEMBL23525040 0.81 ALDH1A1 (0.48) CYP3A4CYP2C19POLBNPC1ALDH1A1
SCHEMBL29760413 0.81 ALDH1A1 (0.48) CYP3A4CYP2C19POLBNPC1ALDH1A1
SCHEMBL8990088 0.79 CA1 (0.50) NPC1CASP6ALDH1A1HPGDPHLPP2

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 — — US disclosed
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 — — US disclosed
EP-0848042-A2 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-06-17 — — EP disclosed
US-5731421-A COLORFASTNESS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-24 — — US disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 — — EP disclosed
EP-0538785-B1 Water-soluble fiber-reactive dyes, process for their preparation and their use HOECHST AG (DE) 1997-04-09 — — EP disclosed
US-5530104-A SUITABLE FOR DYEING AND PRINTING O CELLULOSE-CONTAINING FIBER MATERIAL; GOOD COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1996-06-25 — — US disclosed
US-5399674-A Dyestuffs containing pyrimidine-carboxylic acid amide radical having fiber-reactive group, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 — — US disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 — — EP disclosed
EP-0624630-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 — — EP disclosed
EP-0036533-A2 Dyestuffs, process for their preparation as well as their use in dyeing materials containing hydroxyl groups or nitrogen BAYER AG (DE) 1981-09-30 — — EP disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 — — US disclosed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 — — US disclosed
EP-0012716-A1 Monochlorotriazine dyestuffs of the pyrazolone series, their preparation and their use for dyeing and printing textile materials CIBA-GEIGY AG (CH) 1980-06-25 — — EP disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 — — US disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 — — US disclosed
US-4082739-A FIBRE-REACTIVE DYESTUFF CONTAINING A BIS-TRIAZINYLAMINO CIBA-GEIGY AG (CH) 1978-04-04 — — US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 — — US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 — — US disclosed
US-3947407-A ANTHRAQUINONE DYE CIBA-GEIGY AG (CH) 1976-03-30 — — US disclosed
Send feedback