SCHEMBL8675453

SCHEMBL8675453

O=C1N(Cc2ccc(Cl)cc2)CCN1N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
DRD3 P35462 2/20 0.48
KCNH2 Q12809 1/20 0.48
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 2/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4515061 0.79 NPSR1 (0.40) ALDH1A1KDM4EDRD3KCNH2DRD2
SCHEMBL18835681 0.75 ERCC1 (0.59) ERCC1ERCC4ALDH1A1KDM4EDRD3
SCHEMBL8672693 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EKCNH2KMT2AL3MBTL1
SCHEMBL4517574 0.71 P2RX7 (0.47) ALDH1A1KDM4EDRD3HPGDDRD2
SCHEMBL15038459 0.71 ERCC1 (0.54) ERCC1ERCC4ALDH1A1KDM4EDRD3
SCHEMBL8671469 0.69 KMT2A (0.53) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL10399987 0.68 L3MBTL1 (0.67) ERCC1ERCC4ALDH1A1KDM4EKCNH2
SCHEMBL1276590 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HRH3
SCHEMBL11227514 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HRH3
SCHEMBL4749240 0.68 ERCC1 (0.55) ERCC1ERCC4ALDH1A1DRD3KCNH2

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
US-5726188-A TREATING SENILE DEMENTIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-03-10 US disclosed