SCHEMBL4753300

SCHEMBL4753300

Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)NNS(=O)(=O)c4ccccc4)ccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ESR2 Q92731 1/20 0.43
GAA P10253 3/20 0.42
AKR1C3 P42330 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CD4 P01730 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL4751184 0.87 KDM4E (0.52) ALDH1A1GAACD4SMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL4811566 0.86 KDM4E (0.51) ALDH1A1GAACD4SMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL4753298 0.77 CA1 (0.43) ALDH1A1PPARGPPARDPPARACD4
SCHEMBL4753834 0.75 KCNA1 (0.51) ALDH1A1HTTHPGDSMN1; SMN2KDM4E
SCHEMBL13983989 0.73 KCNA1 (0.66) ALDH1A1GAAHPGDSMN1; SMN2KDM4E
SCHEMBL4752355 0.73 KCNA1 (0.49) ALDH1A1HPGDKDM4ELMNA
SCHEMBL10224252 0.72 HDAC6 (0.47) AKR1C3CD4HPGDSMN1; SMN2MAPT
SCHEMBL4753862 0.72 KCNA1 (0.65) ALDH1A1HTTHPGDSMN1; SMN2KDM4E
SCHEMBL4753275 0.72 KCNA1 (0.53) ALDH1A1GAAHTTHPGDSMN1; SMN2
SCHEMBL13983878 0.71 CD4 (0.51) ALDH1A1CD4POLBHTT

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