SCHEMBL9053335

SCHEMBL9053335

C=C(C)COc1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
RAB9A P51151 7/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 3/20 0.51
TP53 P04637 2/20 0.51
USP2 O75604 1/20 0.51
CASP1 P29466 1/20 0.51
BRCA1 P38398 1/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BLM P54132 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL8886917 0.87 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8871046 0.84 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9284194 0.79 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL45506 0.79 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9284192 0.79 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL18785800 0.78 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1101347 0.78 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5586004 0.78 RAB9A (0.60) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4309362 0.77 MAPT (0.71) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2839930 0.76 LMNA (0.60) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP claimed