SCHEMBL29486341

SCHEMBL29486341

Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
DNM2 P50570 6/20 0.46
EPHX1 P07099 2/20 0.45
EPHX2 P34913 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PCTP Q9UKL6 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL29349616 1.00 NPC1 (0.52) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL29486340 1.00 NPC1 (0.52) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL29486342 1.00 NPC1 (0.52) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL18053805 1.00 NPC1 (0.52) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL23258193 0.97 NPC1 (0.51) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL23753656 0.96 NPC1 (0.48) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL23258347 0.94 NPC1 (0.51) NPC1RAB9ADNM2EPHX1EPHX2
SCHEMBL25858229 0.93 DNM2 (0.45) NPC1RAB9ADNM2KMT2AMEN1
SCHEMBL18038014 0.91 L3MBTL1 (0.50) NPC1RAB9ADNM2KMT2AMEN1
SCHEMBL18037995 0.91 NPC1 (0.52) NPC1RAB9AEPHX1EPHX2KMT2A

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-4199929-A1 COMBINATION THERAPIES WITH OLIG2 INHIBITORS Curtana Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
WO-2022046650-A1 COMBINATION THERAPIES WITH OLIG2 INHIBITORS Curtana Pharmaceuticals, Inc. (US) 2022-03-03 WO disclosed