SCHEMBL9489907

SCHEMBL9489907

NCCCCCNc1ccccc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ SCN1A P35498 3/20 0.48
▸ SCN2A Q99250 3/20 0.48
▸ SCN3A Q9NY46 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KAT2B Q92831 2/20 0.45
▸ METAP2 P50579 1/20 0.45
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ TP53 P04637 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ MEN1 O00255 3/20 0.43

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
SCHEMBL31299788 0.84 L3MBTL1 (0.64) CYP3A4CYP1A2CYP2C19L3MBTL1CA12
SCHEMBL7514004 0.82 L3MBTL1 (0.58) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27278463 0.82 L3MBTL1 (0.62) L3MBTL1METAP2CA1CA2CA12
SCHEMBL28181850 0.81 L3MBTL1 (0.49) CYP3A4ALDH1A1KDM4EL3MBTL1CA1
SCHEMBL9153315 0.80 RAPGEF4 (0.54) ALDH1A1KDM4EHSD17B10L3MBTL1KAT2B
SCHEMBL9158249 0.80 RAPGEF4 (0.54) ALDH1A1KDM4EHSD17B10L3MBTL1KAT2B
SCHEMBL11139997 0.80 KDM4E (0.47) CYP2C19ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL21857967 0.79 TTR (0.54) CYP3A4CYP1A2CYP2C9CYP2C19SCN1A
SCHEMBL9152694 0.78 RAPGEF4 (0.55) ALDH1A1KDM4EHSD17B10L3MBTL1KAT2B
SCHEMBL7520863 0.78 L3MBTL1 (0.50) HSD17B10L3MBTL1CA1CA2CA12

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-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 — — US disclosed
US-4968783-A FIBER-REACTIVE DYES FOR COTTON CIBA-GEIGY CORPORATION (US) 1990-11-06 — — US disclosed
EP-0084314-B1 REACTIVE DISAZO DYES BAYER AG (DE) 1986-07-30 — — EP disclosed
EP-0083052-B1 REACTIVE DISAZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING HYDROXYL OR NITROGEN CONTAINING FIBROUS MATERIALS BAYER AG (DE) 1985-11-13 — — EP disclosed
EP-0084314-A2 Reactive disazo dyes BAYER AG (DE) 1983-07-27 — — EP disclosed
EP-0012716-B1 MONOCHLOROTRIAZINE DYESTUFFS OF THE PYRAZOLONE SERIES, THEIR PREPARATION AND THEIR USE FOR DYEING AND PRINTING TEXTILE MATERIALS CIBA-GEIGY AG (CH) 1983-06-15 — — EP disclosed
US-4348318-A DYEING AND PRINTING TEXTILES; MONOAZO, TRIAZINE, HYDRAZONE, AND PYRAZOLONE DYES CIBA-GEIGY CORPORATION (US) 1982-09-07 — — 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-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 — — US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 — — US disclosed
US-3966705-A Disulfo naphthalene containing fiber-reactive tetrazo dyes CIBA-GEIGY CORPORATION (US) 1976-06-29 — — US disclosed
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