SCHEMBL4753275

SCHEMBL4753275

Cc1ccc(C(=O)N2CCc3nc(NC(=O)NS(=O)(=O)c4ccc(C)cc4)ccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 5/20 0.53
KCNAB1 Q14722 5/20 0.53
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.44
NLRP3 Q96P20 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4753834 0.95 KCNA1 (0.51) KCNA1KCNAB1ALDH1A1LMNAHPGD
SCHEMBL13983989 0.90 KCNA1 (0.66) KCNA1KCNAB1ALDH1A1LMNAHPGD
SCHEMBL4751184 0.84 KDM4E (0.52) KCNA1KCNAB1ALDH1A1LMNAKDM4E
Ammonia Solution, Strong SCHEMBL4811566 0.83 KDM4E (0.51) KCNA1KCNAB1ALDH1A1LMNAKDM4E
SCHEMBL4753862 0.82 KCNA1 (0.65) KCNA1KCNAB1ALDH1A1LMNAHPGD
SCHEMBL4752355 0.81 KCNA1 (0.49) KCNA1KCNAB1ALDH1A1LMNAHPGD
SCHEMBL13983859 0.80 KCNA1 (0.52) KCNA1KCNAB1ALDH1A1LMNAHPGD
SCHEMBL13983881 0.74 KCNA1 (0.61) KCNA1KCNAB1ALDH1A1HPGDKDM4E
SCHEMBL4753300 0.72 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHTTKDM4E
SCHEMBL4751511 0.71 KCNA1 (0.72) KCNA1KCNAB1ALDH1A1LMNAHPGD

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