SCHEMBL365540

SCHEMBL365540

CC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL364900 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364973 0.88 KMT2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366633 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366032 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364902 0.87 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366935 0.87 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365359 0.86 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366448 0.85 GPR119 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364154 0.85 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365509 0.85 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed