SCHEMBL9867007

SCHEMBL9867007

O=C(NC(=NCCSCc1ccncc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.40
SCN2A Q99250 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HRH2 P25021 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
EPHX2 P34913 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9867640 0.95 SCN5A (0.45) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9867644 0.95 SCN5A (0.45) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9867011 0.93 LMNA (0.43) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL7433578 0.91 EPHX2 (0.43) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9865901 0.91 HPGD (0.40) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9865896 0.91 HPGD (0.40) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9866000 0.91 SCN5A (0.50) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9866007 0.91 SCN5A (0.50) SCN5ASCN2ASMN1; SMN2LMNAHRH2
SCHEMBL9866315 0.89 ALDH1A1 (0.42) SCN5ASCN2ASMN1; SMN2LMNACYP1A2
SCHEMBL9866309 0.89 ALDH1A1 (0.42) SCN5ASCN2ASMN1; SMN2LMNACYP1A2

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 2 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-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed