SCHEMBL9866007

SCHEMBL9866007

Cc1ccc(CSCCN=C(NCCCc2c[nH]cn2)NC(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.50
SCN2A Q99250 6/20 0.50
LMNA P02545 4/20 0.48
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH2 P25021 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9866000 1.00 SCN5A (0.50) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9867640 0.94 SCN5A (0.45) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9867644 0.94 SCN5A (0.45) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9866012 0.93 LMNA (0.53) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9866309 0.92 ALDH1A1 (0.42) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9866315 0.92 ALDH1A1 (0.42) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9865901 0.92 HPGD (0.40) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9865896 0.92 HPGD (0.40) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9867007 0.91 SCN5A (0.40) SCN5ASCN2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9866134 0.89 SCN5A (0.37) SCN5ASCN2ALMNASMN1; SMN2HTT

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
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed