SCHEMBL10693029

SCHEMBL10693029

CCCCN(CCCC)S(=O)(=O)c1ccc(N)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA2 P00918 2/20 0.51
CA1 P00915 2/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
VCAM1 P19320 2/20 0.51
KDM4E B2RXH2 1/20 0.47
SERPINE1 P05121 2/20 0.43
RAB9A P51151 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLC22A12 Q96S37 1/20 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
SCHEMBL10693294 0.84 CA12 (0.58) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL10694078 0.79 VCAM1 (0.65) SMN1; SMN2POLBVCAM1KDM4EMAPT
SCHEMBL11800370 0.79 CA2 (0.47) SMN1; SMN2CA12CA9CA2CA1
SCHEMBL10693896 0.78 CA12 (0.54) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL11110731 0.77 L3MBTL1 (0.56) SMN1; SMN2POLBCA2CA1VCAM1
SCHEMBL11175627 0.77 SMN1; SMN2 (0.51) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL3909923 0.77 SMN1; SMN2 (0.65) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL10693083 0.76 CA1 (0.63) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL10859351 0.75 VCAM1 (0.49) SMN1; SMN2POLBCA12CA9CA2
SCHEMBL20930273 0.75 VCAM1 (0.50) SMN1; SMN2POLBCA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0112285-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed