SCHEMBL10690663

SCHEMBL10690663

Nc1c(Br)cc(C(=O)NCCOS(=O)(=O)O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.39
CA1 P00915 5/20 0.39
CA3 P07451 5/20 0.39
CA9 Q16790 5/20 0.39
CA12 O43570 4/20 0.39
CA4 P22748 4/20 0.39
CA6 P23280 4/20 0.39
CA5A P35218 4/20 0.39
CA7 P43166 4/20 0.39
CA13 Q8N1Q1 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
GSK3B P49841 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 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
SCHEMBL10693649 0.85 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL10694514 0.78 LMNA (0.50) CA2CA1CA9CA12KMT2A
SCHEMBL10692839 0.74 LMNA (0.62) CA2CA1CA3CA9CA12
SCHEMBL23417255 0.72 NPC1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27961888 0.72 CYP1A2 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8951838 0.71 CA2 (0.48) CA2CA1CA3CA9CA12
SCHEMBL24904351 0.70 HPGD (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28879276 0.68 LMNA (0.46) CA2CA1CA9CA12KMT2A
SCHEMBL27424551 0.67 CA2 (0.41) CA2CA1CA3CA9CA12
SCHEMBL27948249 0.67 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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