SCHEMBL9865896

SCHEMBL9865896

O=C(N/C(=N\CCSCc1ccc(Cl)cc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
SCN5A Q14524 3/20 0.40
SCN2A Q99250 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.37
MALT1 Q9UDY8 1/20 0.36
HRH2 P25021 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9865901 1.00 HPGD (0.40) HPGDUSP2SCN5ASCN2ASMN1; SMN2
SCHEMBL9867644 0.94 SCN5A (0.45) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9867640 0.94 SCN5A (0.45) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9865910 0.93 KMT2A (0.43) HPGDUSP2SCN5ASCN2ASMN1; SMN2
SCHEMBL9865157 0.92 ALDH1A1 (0.44) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9865153 0.92 ALDH1A1 (0.44) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9866000 0.92 SCN5A (0.50) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9866007 0.92 SCN5A (0.50) HPGDSCN5ASCN2ASMN1; SMN2KMT2A
SCHEMBL9867007 0.91 SCN5A (0.40) SCN5ASCN2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9866315 0.90 ALDH1A1 (0.42) HPGDSCN5ASCN2ASMN1; SMN2KMT2A

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