SCHEMBL9869252

SCHEMBL9869252

O=C(N/C(=N\CCCc1c[nH]cn1)NCCSCc1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.48
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH2 P25021 4/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
HRH4 Q9H3N8 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9866501 1.00 PSMB5 (0.48) PSMB5LMNASMN1; SMN2HRH2CYSLTR1
SCHEMBL9866505 0.94 PSMB5 (0.44) PSMB5LMNASMN1; SMN2HRH2CYSLTR1
SCHEMBL9867649 0.87 LMNA (0.49) LMNASMN1; SMN2HRH2HRH4ALDH1A1
SCHEMBL9866151 0.87 LMNA (0.39) PSMB5LMNASMN1; SMN2HRH2HRH4
SCHEMBL9866425 0.87 RAB9A (0.42) LMNASMN1; SMN2HRH2HRH4ALDH1A1
SCHEMBL9865668 0.86 TSHR (0.42) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9865675 0.86 TSHR (0.42) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9865848 0.85 ALDH1A1 (0.39) PSMB5LMNASMN1; SMN2HRH2HRH4
SCHEMBL9867011 0.84 LMNA (0.43) LMNASMN1; SMN2HRH2HRH4ALDH1A1
SCHEMBL9866012 0.84 LMNA (0.53) LMNASMN1; SMN2ALDH1A1HPGD

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