SCHEMBL4538396

SCHEMBL4538396

CCc1nc(N2CCN(c3ccccc3)C2=O)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SCD O00767 10/20 0.43
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DHFR P00374 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL242203 0.85 SCD (0.52) MEN1NPC1RAB9AKMT2ASCD
SCHEMBL242637 0.79 KMT2A (0.51) MEN1NPC1RAB9AKMT2ASCD
SCHEMBL244939 0.74 SCD (0.77) SCD
SCHEMBL245185 0.70 SCD (0.77) KMT2ASCDPIK3CDPIK3CBSMN1; SMN2
SCHEMBL243706 0.68 SCD (0.61) NPC1SCDPIK3CDPIK3CBSMN1; SMN2
SCHEMBL610584 0.68 NPC1 (1.00) MEN1NPC1RAB9AKMT2A
SCHEMBL1909601 0.68 NPC1 (0.58) MEN1NPC1RAB9AKMT2AHRH3
SCHEMBL243883 0.68 SCD (0.53) SCDPIK3CDPIK3CBSMN1; SMN2
SCHEMBL16702679 0.67 SMN1; SMN2 (0.64) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16404871 0.67 PIK3CD (0.40) NPC1RAB9APIK3CDPIK3CBCYP3A4

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
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed