SCHEMBL9646947

SCHEMBL9646947

Nc1cc(Cl)c(S(=O)(=O)Oc2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ ITGA1 P56199 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ SLC7A11 Q9UPY5 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL11319350 0.85 TDP1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL9647148 0.83 POLB (0.40) CA1CA2CA9ITGA1TDP1
SCHEMBL9646039 0.80 SLC7A11 (0.36) CA1CA2CA9ITGA1TDP1
SCHEMBL11223463 0.79 CA1 (0.48) CA1CA2CA9CA12CA3
SCHEMBL9327065 0.78 CA1 (0.61) CA1CA2CA9CA12CA3
SCHEMBL9645164 0.76 CYP3A4 (0.44) CA1CA2CA9ITGA1TDP1
SCHEMBL11423323 0.75 ALPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL11742164 0.75 CYP1A2 (0.50) TDP1ALDH1A1SLC7A11MEN1KMT2A
SCHEMBL6913682 0.74 CA1 (0.47) CA1CA2CA9ITGA1TDP1
SCHEMBL11555741 0.73 P2RX4 (0.46) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039306-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-01-11 — — EP claimed
EP-0039306-A1 Azo dyestuffs, methods for their preparation and their use CIBA-GEIGY AG (CH) 1981-11-04 — — EP claimed
US-5106960-A Fiber-reactive and monoazo red and yellow dyes; color- and washfastness; formaldehyde-resistance; brightness CIBA-GEIGY CORPORATION (US) 1992-04-21 — — US disclosed
EP-0039306-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-01-11 — — EP disclosed
EP-0039306-A1 Azo dyestuffs, methods for their preparation and their use CIBA-GEIGY AG (CH) 1981-11-04 — — EP disclosed
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