SCHEMBL10693294

SCHEMBL10693294

CCN(CC)S(=O)(=O)c1ccc(N)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3909923 0.91 SMN1; SMN2 (0.65) CA12CA1CA2CA4CA6
SCHEMBL14419604 0.85 POLB (0.56) POLBSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL11137915 0.85 POLB (0.56) POLBSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10693029 0.84 SMN1; SMN2 (0.53) CA12CA1CA2CA4CA6
SCHEMBL939122 0.84 POLB (0.63) POLBSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL7212214 0.84 SMN1; SMN2 (0.58) POLBSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10693083 0.81 CA1 (0.63) CA12CA1CA2CA4CA6
SCHEMBL10695843 0.81 TSHR (0.54) CA1CA2CA9POLBSMN1; SMN2
SCHEMBL10693591 0.80 ALDH1A1 (0.60) CA12CA1CA2CA4CA6
SCHEMBL10688819 0.79 CA2 (0.66) 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 1 patent. 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