SCHEMBL367540

SCHEMBL367540

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
EGFR P00533 1/20 0.41
TSHR P16473 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL366392 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366244 0.95 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365446 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366794 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367488 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365359 0.90 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364883 0.90 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365511 0.90 KMT2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366164 0.90 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365979 0.89 ALDH1A1 (0.36) 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