SCHEMBL9009746

SCHEMBL9009746

Cc1ccc(S(=O)(=O)O)cc1Nc1nc(F)nc(F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA13 Q8N1Q1 3/20 0.46
ALDH1A1 P00352 1/20 0.44
SNCA P37840 2/20 0.41
CA3 P07451 3/20 0.41
CA5A P35218 2/20 0.41
GAA P10253 2/20 0.38
P2RX7 Q99572 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL9009755 0.89 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL7718114 0.85 SNCA (0.40) CA12CA1CA2CA4CA6
SCHEMBL9009807 0.84 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL8041964 0.83 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL9010642 0.83 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL14087146 0.81 CA12 (0.39) CA12CA1CA2CA4CA6
SCHEMBL9484849 0.81 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL9009756 0.80 CA2 (0.46) CA12CA1CA2CA4CA6
SCHEMBL9009767 0.80 KMT2A (0.46) CA12CA1CA2CA4CA6
SCHEMBL10486116 0.79 CA12 (0.38) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502173-A Process for the preparation of a substituted 2-amino-1-sulphonaphthalene BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
EP-0494456-A1 Improved process for the preparation of a substituted 2-amino-1-sulfonaphthaline BAYER AG (DE) 1992-07-15 EP disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
EP-0189081-B1 AZO REACTIVE DYES BAYER AG (DE) 1989-02-15 EP disclosed
EP-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
EP-0177978-B1 NAPHTHOL AMINE DERIVATIVES BAYER AG (DE) 1988-04-20 EP disclosed
EP-0144704-B1 REACTIVE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0151792-A2 Reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1985-08-21 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-0043411-B1 REACTIVE DISAZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING MATERIALS CONTAINING NITROGEN AND/OR HYDROXYLE GROUPS BAYER AG (DE) 1984-07-11 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-0021372-B1 COPPER COMPLEXES OF DISAZO REACTIVE DYESTUFFS BAYER AG (DE) 1982-07-07 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