SCHEMBL9466522

SCHEMBL9466522

O=C1C=C(NC(c2ccccc2)c2ccccc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MT-CO2 P00403 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NR3C1 P04150 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
MTOR P42345 1/20 0.34
GRM7 Q14831 1/20 0.34

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
SCHEMBL21082198 0.83 POLB (0.50) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL5277543 0.83 POLB (0.50) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL5277549 0.83 POLB (0.50) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL261210 0.74 MT-CO2 (0.46) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL2033213 0.73 MT-CO2 (0.69) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL6583074 0.71 POLB (0.56) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL19296877 0.71 SMN1; SMN2 (0.61) POLBSMN1; SMN2GAAMAPTMEN1
SCHEMBL9544841 0.69 POLB (1.00) POLBMT-CO2SMN1; SMN2GAAMAPT
SCHEMBL27494093 0.67 RAB9A (0.43) POLBSMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7054325 0.67 POLB (0.71) POLBMT-CO2MAPTRAB9AMEN1

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
JP-5097783-A None JP disclosed
JP-H0597783-A 2-CYCLOHEXENONE COMPOUND AND CEREBRAL FUNCTION IMPROVER COMPRISING THE SAME COMPOUND AS ACTIVE INGREDIENT NIKKEN CHEM CO LTD 1993-04-20 JP disclosed