SCHEMBL9867649

SCHEMBL9867649

O=C(NC(=NCCCc1c[nH]cn1)NCCSCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HRH2 P25021 4/20 0.41
SCN5A Q14524 3/20 0.41
SCN2A Q99250 3/20 0.41
ALDH1A1 P00352 8/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL9867011 0.95 LMNA (0.43) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL9865910 0.94 KMT2A (0.43) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL9866012 0.94 LMNA (0.53) LMNASMN1; SMN2SCN5ASCN2AALDH1A1
SCHEMBL9867640 0.93 SCN5A (0.45) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL9867644 0.93 SCN5A (0.45) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL7433583 0.93 SMN1; SMN2 (0.41) LMNASMN1; SMN2HRH2ALDH1A1HPGD
SCHEMBL9865162 0.93 GAA (0.44) LMNASMN1; SMN2HRH2ALDH1A1HPGD
SCHEMBL9866319 0.92 ALDH1A1 (0.46) LMNASMN1; SMN2SCN5ASCN2AALDH1A1
SCHEMBL9866151 0.91 LMNA (0.39) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL9866425 0.90 RAB9A (0.42) LMNASMN1; SMN2HRH2ALDH1A1HPGD

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