SCHEMBL7893145

SCHEMBL7893145

CC(=O)NC(C)Cn1c(O)cc(C)c(S(=O)(=O)O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
ACACB O00763 6/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX3 P56373 3/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30
MTNR1A P48039 5/20 0.30
MTNR1B P49286 5/20 0.30

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
SCHEMBL9325061 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7889840 0.80 KDM4E (0.52) ALDH1A1KDM4EMEN1MAPTTHRB
SCHEMBL7883039 0.79 CYP1A2 (0.33) ACACBP2RX3KDM4EMEN1MAPT
SCHEMBL7888404 0.77 KDM4E (0.41) ALDH1A1L3MBTL1MCOLN3KDM4EMEN1
SCHEMBL6875333 0.75 KDM4E (0.40) ALDH1A1L3MBTL1MCOLN3KDM4EMEN1
SCHEMBL7888451 0.74 GRIN2D (0.40) ALDH1A1L3MBTL1MCOLN3KDM4EMEN1
SCHEMBL7883002 0.73 ACACB (0.38) ALDH1A1ACACBKDM4EMEN1MAPT
SCHEMBL11339850 0.73 KDM4E (0.42) ALDH1A1L3MBTL1MCOLN3KDM4EMEN1
SCHEMBL7891026 0.73 MEN1 (0.42) ALDH1A1L3MBTL1MCOLN3KDM4EMEN1
SCHEMBL11051169 0.72 KDM4E (0.41) ALDH1A1L3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177552-B1 CONTAINING (((VINYLSULFONYL)ALKYLAMINO)ALKYLSULFONYL)PHENYLAZO GROUPS DYSTARTEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-01-23 US disclosed
EP-0489360-B1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AG (DE) 1995-09-20 EP disclosed
EP-0399411-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-07-13 EP disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0489360-A1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-10 EP disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0399411-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
EP-0078024-B1 WATER-SOLUBLE PYRIDONE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed
EP-0078009-A1 Water-soluble pyridone azo compounds; process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-04 EP disclosed
EP-0078024-A1 Water-soluble pyridone azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-04 EP disclosed