SCHEMBL9147488

SCHEMBL9147488

N#CN=C(NCCCc1cccc(Cl)c1)Nc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
INSR P06213 1/20 0.45
KDR P35968 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
CDK2 P24941 1/20 0.44
FLT4 P35916 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
PTAFR P25105 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL9147482 0.88 BCL6 (0.53) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL9151640 0.82 BCL6 (0.46) NPC1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL11160665 0.81 LMNA (0.50) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9149002 0.81 BCL6 (0.62) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11166906 0.80 CDK2 (0.52) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11166666 0.80 MEN1 (0.51) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL809770 0.80 HRH4 (0.49) CDK2FLT4HRH4PTAFR
SCHEMBL8917912 0.80 IKBKB (0.63) NPC1MEN1KMT2ARAB9ACDK2
SCHEMBL7356177 0.79 HRH4 (0.54) MEN1KMT2AHRH4NOTUMABCC9
SCHEMBL6615293 0.78 CYP11B1 (0.57) MEN1KMT2ASMN1; SMN2RAB9ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP claimed
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO claimed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed