SCHEMBL8041964

SCHEMBL8041964

O=S(=O)(O)c1ccc(Cl)c(Nc2nc(F)nc(F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA13 Q8N1Q1 3/20 0.46
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
CA3 P07451 3/20 0.38
CA5A P35218 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SNCA P37840 2/20 0.36
AGTR1 P30556 1/20 0.36
TNNI3K Q59H18 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL9009756 0.89 CA2 (0.46) CA12CA1CA2CA9CA4
SCHEMBL8040793 0.85 ALDH1A1 (0.35) CA12CA1CA2CA9CA4
SCHEMBL9009807 0.84 CA12 (0.47) CA12CA1CA2CA9CA4
SCHEMBL9008031 0.83 CHAT (0.44) CA12CA1CA2CA9CA4
SCHEMBL9009746 0.83 CA12 (0.46) CA12CA1CA2CA9CA4
SCHEMBL9484849 0.81 CA12 (0.47) CA12CA1CA2CA9CA4
SCHEMBL9009755 0.80 CA12 (0.46) CA12CA1CA2CA9CA4
SCHEMBL9483548 0.78 MEN1 (0.47) CA12CA1CA2CA9CA4
SCHEMBL9009767 0.77 KMT2A (0.46) CA12CA1CA2CA9CA4
SCHEMBL9009810 0.77 CA1 (0.59) CA12CA1CA2CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557841-B1 Reactive dyes BAYER AG (DE) 2000-05-10 EP disclosed
EP-0568874-B1 Reactive dyes BAYER AG (DE) 1999-09-08 EP disclosed
EP-0569779-B1 Reactive dyes BAYER AG (DE) 1998-07-22 EP disclosed
EP-0569779-A2 New reactive dyes BAYER AG (DE) 1993-11-18 EP disclosed
EP-0568874-A2 New reactive dyes BAYER AG (DE) 1993-11-10 EP disclosed
EP-0557841-A2 Reactive dyes BAYER AG (DE) 1993-09-01 EP disclosed
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
US-5145484-A POLYVINYL ALCOHOL ENVELOPES OF LOW AIR CONTENT AS PACKING MATERIAL FOR FIBRE-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
EP-0457715-A2 Reactive dyes packed in polyvinylalcohol envelopes CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0144704-A2 Reactive dyes BAYER AG (DE) 1985-06-19 EP disclosed
EP-0128316-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
EP-0050266-B1 REACTIVE DISAZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING MATERIALS THAT CONTAIN HYDROXYL AND/OR NITROGEN BAYER AG (DE) 1984-10-03 EP disclosed
EP-0108924-A1 Heavy metal-containing formazane dyestuffs, methods for their preparation and their use in the dyeing and printing of fibre materials BAYER AG (DE) 1984-05-23 EP disclosed
EP-0097289-A2 Azo dyestuffs BAYER AG (DE) 1984-01-04 EP disclosed
EP-0084314-A2 Reactive disazo dyes BAYER AG (DE) 1983-07-27 EP disclosed
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
EP-0021372-B1 COPPER COMPLEXES OF DISAZO REACTIVE DYESTUFFS BAYER AG (DE) 1982-07-07 EP disclosed
EP-0050266-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing materials that contain hydroxyl and/or nitrogen BAYER AG (DE) 1982-04-28 EP disclosed
EP-0043411-A2 Reactive disazo dyestuffs, process for their preparation and their use in dyeing and printing materials containing nitrogen and/or hydroxyle groups BAYER AG (DE) 1982-01-13 EP disclosed