SCHEMBL13448352

SCHEMBL13448352

NCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.65
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ CASP3 P42574 3/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.59
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
Hydrochloric Acid SCHEMBL31609031 0.98 CA12 (0.63) CA12CA1CA2CA9CASP3
SCHEMBL12446487 0.87 KMT2A (0.60) CA12CA1CA2CA9CASP3
Hydrochloric Acid SCHEMBL31609073 0.86 KMT2A (0.59) CA12CA1CA2CA9CASP3
SCHEMBL29817904 0.85 CA12 (0.65) CA12CA1CA2CA9CASP3
SCHEMBL1833825 0.85 CA12 (0.65) CA12CA1CA2CA9CASP3
SCHEMBL11167209 0.84 CASP3 (0.67) CA12CA1CA2CA9CASP3
SCHEMBL30472950 0.84 CASP3 (0.85) CA12CA1CA2CA9CASP3
SCHEMBL326305 0.84 CASP3 (0.85) CA12CA1CA2CA9CASP3
SCHEMBL9053599 0.82 CASP3 (0.65) CA12CA1CA2CA9CASP3
SCHEMBL8737445 0.82 CASP3 (0.65) CA12CA1CA2CA9CASP3

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
WO-2010033824-A1 SULFONAMIDE DERIVATIVES AS INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-03-25 — — WO disclosed
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