SCHEMBL4317633

SCHEMBL4317633

COc1ccc(C(C)=NOCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PABPC1 P11940 1/20 0.44
NNMT P40261 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 3/20 0.42
S1PR1 P21453 3/20 0.42
PPARA Q07869 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
GRIN2B Q13224 1/20 0.40
OXTR P30559 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
SCHEMBL4317630 1.00 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27761171 0.84 KMT2A (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8307069 0.79 NNMT (0.46) L3MBTL1SMN1; SMN2MEN1KMT2ANNMT
SCHEMBL8307070 0.79 NNMT (0.46) L3MBTL1SMN1; SMN2MEN1KMT2ANNMT
SCHEMBL4451421 0.77 L3MBTL1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19733323 0.77 L3MBTL1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14277946 0.77 ESR1 (0.46) RAB9ASMN1; SMN2MEN1KMT2APABPC1
Water SCHEMBL4316877 0.76 NPC1 (0.74) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23182807 0.75 KMT2A (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4317117 0.74 RAB9A (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA

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-2061748-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS Office Of Intellectual Property And Technology (US) 2009-05-27 EP disclosed
WO-2008027740-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS OFFICE OF INTELLECTUAL PROPERTY AND TECHNOLOGY (US) 2008-03-06 WO disclosed