SCHEMBL8973695

SCHEMBL8973695

Cc1cccc(N)c1C(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 4/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
SCN4A P35499 3/20 0.34
MAOA P21397 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4852014 0.86 CYP3A4 (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL19287011 0.84 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL578005 0.84 CA1 (0.46) CD44CYP3A4TSHRALDH1A1CA1
SCHEMBL11170857 0.83 CD44 (0.45) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL10073173 0.82 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL505952 0.80 TDP1 (0.34) CD44CYP3A4TDP1TSHRALDH1A1
SCHEMBL1464678 0.80 CYP3A4 (0.39) CD44CYP3A4TDP1TSHRPIK3CA
Sulfuric Acid SCHEMBL6528418 0.77 TTR (0.41) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL28542075 0.77 CES2 (0.41) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL5111434 0.77 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319909-B Dye with polymerizable group and preparation of dye microsphere containing dye DALIAN FUSIDA SPECIAL CHEMICAL CO LTD 2014-12-31 CN disclosed
CN-103319909-A Dye with polymerizable group and preparation of dye microsphere containing dye DALIAN FUSIDA SPECIAL CHEMICAL CO LTD 2013-09-25 CN disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
US-5527509-A QUANTITATIVE ANALYSIS CRANFIELD BIOTECHNOLOGY LTD. (GB) 1996-06-18 US disclosed
EP-0513078-B1 COLORIMETRIC ENZYMIC ANALYSIS CRANFIELD BIOTECH LTD (GB) 1996-04-03 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed
EP-0588913-A1 ACRYLATE OR METHACRYLATE COATING COMPOSITIONS COMPRISING WAX. MINNESOTA MINING & MFG (US) 1994-03-30 EP disclosed
WO-1992022611-A1 ACRYLATE OR METHACRYLATE COATING COMPOSITIONS COMPRISING WAX MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-23 WO disclosed
EP-0513078-A1 COLORIMETRIC ENZYMIC ANALYSIS. CRANFIELD BIOTECH LTD (GB) 1992-11-19 EP disclosed
WO-1991011530-A1 COLORIMETRIC ENZYMIC ANALYSIS CRANFIELD BIOTECHNOLOGY LTD. (GB) 1991-08-08 WO disclosed
US-4942114-A FLUORESCENT, REFLECTIVE FUJI PHOTO FILM CO., LTD. (JP) 1990-07-17 US disclosed
EP-0223977-A1 Colour developing method in clinical examinations WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-03 EP disclosed
US-4639478-A Bismorpholines, a process for their preparation and their use for protection against hydrolysis BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
US-4617387-A REACTING GLYOXAL WITH AN N-SUBSTITUTED AMINO ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 1986-10-14 US disclosed
US-4092243-A CONTAINING TRIAZINE RINGS, SELECTIVE ABSORPTION OF HYDROCARBONS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-3957728-A MODIFIED WITH S-TRIAZINES; ABSORBENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed