SCHEMBL364641

SCHEMBL364641

N#CCOc1cc(OCCc2ccccc2)c2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.38
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 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
SCHEMBL366073 0.92 ALKBH1 (0.36) SMN1; SMN2ALDH1A1HK1HKDC1KMT2A
SCHEMBL365786 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AFFAR1SIGMAR1PSEN1
SCHEMBL366016 0.90 MAPK12 (0.39) SMN1; SMN2CNR1CNR2
SCHEMBL367249 0.90 MEN1 (0.36) HTR6KMT2APSEN1PSEN2APH1B
SCHEMBL367225 0.86 KMT2A (0.40) PLK1SMN1; SMN2ALDH1A1KMT2ACNR1
SCHEMBL366565 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AFFAR1SIGMAR1PSEN1
SCHEMBL366612 0.84 ACHE (0.38) PLK1DRD2HTR6SMN1; SMN2KMT2A
SCHEMBL364643 0.84 CYP11B1 (0.40) ALDH1A1CNR2
SCHEMBL367347 0.84 KMT2A (0.38) HTR6SMN1; SMN2ALDH1A1KMT2AFFAR1
SCHEMBL365103 0.83 MAPT (0.38) SMN1; SMN2ALDH1A1KMT2APSEN1PSEN2

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed