SCHEMBL9706822

SCHEMBL9706822

Cc1cc(S(=O)(=O)O)c(N)cc1Cl.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CA12 O43570 7/20 0.44
CA1 P00915 7/20 0.44
CA2 P00918 7/20 0.44
CA9 Q16790 7/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 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
SCHEMBL29489238 0.98 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL72936 0.98 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL30586216 0.96 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL9753030 0.95 CD44 (0.55) CD44CA12CA1CA2CA9
SCHEMBL27990790 0.93 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL29350461 0.91 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL315975 0.91 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL9861695 0.86 ALDH1A1 (0.46) CD44CA12CA1CA2CA9
SCHEMBL6629778 0.83 CA12 (0.46) CD44CA12CA1CA2CA9
SCHEMBL27781093 0.82 HSD17B1 (0.46) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108404644-B Formaldehyde trapping agent and preparation and application methods thereof 福建工程学院 2021-03-30 CN claimed
CN-103387754-B Method for producing pigment red 48:2 with excellent heat resistance and migration resistance CROWN CHEMICAL CO LTD 2015-04-22 CN claimed
CN-103387754-A Method for producing pigment red 48:2 with excellent heat resistance and migration resistance CROWN CHEMICAL CO LTD 2013-11-13 CN claimed
JP-3072573-A None JP disclosed
CN-108404644-B Formaldehyde trapping agent and preparation and application methods thereof 福建工程学院 2021-03-30 CN disclosed
CN-103387754-B Method for producing pigment red 48:2 with excellent heat resistance and migration resistance CROWN CHEMICAL CO LTD 2015-04-22 CN disclosed
CN-103387754-A Method for producing pigment red 48:2 with excellent heat resistance and migration resistance CROWN CHEMICAL CO LTD 2013-11-13 CN disclosed
EP-0222335-B1 NON-BRONZING REDDISH LAKE PIGMENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-08-19 EP disclosed
JP-H0372573-A NEW CRYSTALLINE MONOAZO LAKE PIGMENT AND PRINTING INK COMPOSITION TOYO INK MFG CO LTD 1991-03-27 JP disclosed
EP-0202906-B1 PROCESS FOR PRODUCING AZO LAKE PIGMENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-01-25 EP disclosed
US-4767844-A COUPLING DIAZO COMPONENT HAVING SULFONIC ACID GROUP WITH A MIXTURE OF 2-HYDROXY-3-NAPHTHOIC ACID AND THE AMIDE DERIVATIVES THEREOF DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-08-30 US disclosed
US-4711674-A SURFACE TREATMENT WITH N-(3-ALKOXY-2-HYDROXYPROPYL)TRIALKYL AMMONIUM SALT DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-12-08 US disclosed
EP-0222335-A2 Non-bronzing reddish lake pigment DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-05-20 EP disclosed
EP-0202906-A1 Process for producing azo lake pigments DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-11-26 EP disclosed