SCHEMBL366244

SCHEMBL366244

CCCOC(=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
ELANE P08246 5/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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 0.95 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366392 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365359 0.91 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365511 0.91 KMT2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366164 0.91 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365979 0.90 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366275 0.90 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364902 0.90 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365753 0.89 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364443 0.89 ALDH1A1 (0.45) 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