SCHEMBL5609255

SCHEMBL5609255

NC(c1ccccc1)(c1ccccn1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
BLM P54132 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
PGR P06401 1/20 0.39
THRB P10828 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL4370209 0.96 KCNN4 (0.54) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL864064 0.86 SMN1; SMN2 (0.58) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL8392798 0.84 SMN1; SMN2 (0.52) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL29017954 0.84 SMN1; SMN2 (0.56) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL18635600 0.79 L3MBTL1 (0.57) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL4379933 0.79 CHRM2 (0.47) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL1649314 0.79 CHRM2 (0.47) KCNN4SMN1; SMN2L3MBTL1CHRM2MEN1
SCHEMBL31324682 0.77 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1CHRM2MEN1KMT2A
SCHEMBL13053153 0.77 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1CHRM2MEN1KMT2A
SCHEMBL4327683 0.77 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1CHRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed