SCHEMBL13983878

SCHEMBL13983878

Cc1ccc(S(=O)(=O)N2CCc3nc(N)ccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD4 P01730 16/20 0.51
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL10224252 0.79 HDAC6 (0.47) CD4
SCHEMBL4751184 0.76 KDM4E (0.52) CD4PKMALDH1A1
SCHEMBL14751054 0.75 AKR1C3 (0.65) CD4PKMALDH1A1POLBHTT
Ammonia Solution, Strong SCHEMBL4811566 0.75 KDM4E (0.51) CD4PKMALDH1A1
SCHEMBL20389256 0.74 AKR1C3 (0.60) CD4PKM
SCHEMBL13302259 0.74 KMT2A (0.77) PKMALDH1A1POLB
SCHEMBL19104717 0.73 CD4 (0.52) CD4PKMALDH1A1POLBHTT
SCHEMBL265611 0.71 PKM (0.61) CD4PKMALDH1A1POLBHTT
SCHEMBL12330050 0.71 PKM (0.61) CD4PKMALDH1A1POLBHTT
SCHEMBL5632531 0.71 AKR1C3 (0.60) CD4PKM

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-2008149163-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-12-11 WO disclosed