SCHEMBL9619916

SCHEMBL9619916

O=S(=O)(CCc1ccccc1)c1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA7 P43166 4/20 0.50
CA13 Q8N1Q1 4/20 0.50
CA9 Q16790 3/20 0.42
TSHR P16473 1/20 0.41
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
TXNRD1 Q16881 1/20 0.39
IDO1 P14902 1/20 0.39
APP P05067 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLO1 Q04760 1/20 0.37
AKR1B1 P15121 1/20 0.36
SDHB P21912 1/20 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
SCHEMBL9619835 0.83 GSR (0.46) CA2CA1CA9TSHRCA5A
SCHEMBL9619924 0.72
SCHEMBL9872604 0.70 CYP1A2 (0.44) CA2CA12CA1CA7CA13
SCHEMBL4820396 0.70 GAA (0.59) CA2CA12CA1CA7CA13
SCHEMBL3241520 0.70 LOX (0.54) CA2CA12CA1CA7CA13
SCHEMBL2363948 0.68 SMN1; SMN2 (0.51) CA2CA12CA1CA7CA13
SCHEMBL66698 0.68 CA2 (0.53) CA2CA12CA1CA7CA13
SCHEMBL302785 0.67 CA2 (0.69) CA2CA12CA1CA7CA13
SCHEMBL15647569 0.67 CA2 (1.00) CA2CA12CA1CA7CA13
Ammonia Solution, Strong SCHEMBL31358922 0.66 CA2 (0.52) CA2CA12CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285571-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-02-05 EP disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0141776-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
US-4325869-A CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed
US-4287342-A 2,4,6-Trihalo-5-alkyl-and 5-alkenylsulphonylpyrimidines CIBA-GEIGY CORPORATION (US) 1981-09-01 US disclosed
US-4188483-A 5-Alkylsulphonyl- and 5-alkenylsulphonylbarbituric acids and derivatives thereof CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed