SCHEMBL9865153

SCHEMBL9865153

O=C(N/C(=N\CCSCc1cccc(Cl)c1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
SCN5A Q14524 2/20 0.39
SCN2A Q99250 2/20 0.39
KCNH2 Q12809 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.37
HRH2 P25021 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 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
SCHEMBL9865157 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL9865162 0.94 GAA (0.44) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL9867644 0.93 SCN5A (0.45) ALDH1A1SMN1; SMN2HPGDMAPTSCN5A
SCHEMBL9867640 0.93 SCN5A (0.45) ALDH1A1SMN1; SMN2HPGDMAPTSCN5A
SCHEMBL9865901 0.92 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDMAPTSCN5A
SCHEMBL9865896 0.92 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDMAPTSCN5A
SCHEMBL9866537 0.89 SCN5A (0.39) SMN1; SMN2HPGDMAPTGAASCN5A
SCHEMBL9866527 0.89 SCN5A (0.39) SMN1; SMN2HPGDMAPTGAASCN5A
SCHEMBL9866141 0.89 SCN5A (0.37) SMN1; SMN2MAPTSCN5ASCN2ALMNA
SCHEMBL9866134 0.89 SCN5A (0.37) SMN1; SMN2MAPTSCN5ASCN2ALMNA

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