SCHEMBL366392

SCHEMBL366392

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
TSHR P16473 5/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
EGFR P00533 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 4/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PLA2G2A P14555 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL367540 0.98 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366244 0.93 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365446 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367488 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366794 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365359 0.89 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364883 0.88 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365511 0.88 KMT2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366164 0.88 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365979 0.88 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