SCHEMBL6583074

SCHEMBL6583074

O=C1C=C(NNc2ccccc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
MT-CO2 P00403 1/20 0.49
ALDH1A1 P00352 3/20 0.44
CTSD P07339 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL2033213 0.83 MT-CO2 (0.69) POLBSMN1; SMN2GAAMT-CO2ALDH1A1
SCHEMBL4024685 0.82 MT-CO2 (0.50) POLBSMN1; SMN2GAAMT-CO2ALDH1A1
SCHEMBL4902804 0.82 MT-CO2 (0.50) POLBSMN1; SMN2GAAMT-CO2ALDH1A1
SCHEMBL8562063 0.71 ALDH1A1 (0.41) SMN1; SMN2GAAALDH1A1CTSDTDP1
SCHEMBL9466522 0.71 POLB (0.53) POLBSMN1; SMN2GAAMT-CO2MEN1
SCHEMBL9544841 0.71 POLB (1.00) POLBSMN1; SMN2GAAMT-CO2ALDH1A1
SCHEMBL10811051 0.71 MT-CO2 (0.58) POLBSMN1; SMN2MT-CO2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL8321900 0.69 ALDH1A1 (0.48) GAAALDH1A1CTSDTDP1MAPT
SCHEMBL5277549 0.69 POLB (0.50) POLBSMN1; SMN2GAAMT-CO2ALDH1A1
SCHEMBL5277543 0.69 POLB (0.50) POLBSMN1; SMN2GAAMT-CO2ALDH1A1

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-1424337-A1 4-hydroxy derivatives of 5,6,9,10-tetrahydro-10-((2-methyl-1h-imidazol-1-yl)methyl)-4h-pyrido-(3,2,1-jk)-carbazol-11(8h)-one Solvay Pharmaceuticals GmbH (DE) 2004-06-02 EP disclosed