SCHEMBL364883

SCHEMBL364883

CN(C)CCCOC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.37
RAD52 P43351 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
DNM2 P50570 1/20 0.35
DNM1 Q05193 1/20 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
SCHEMBL364443 0.94 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL367540 0.90 PSEN1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL366392 0.88 PSEN1 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL366794 0.88 PSEN1 (0.36) ALDH1A1MAPTMEN1KMT2APSEN1
SCHEMBL367488 0.88 PSEN1 (0.36) ALDH1A1MAPTMEN1KMT2APSEN1
SCHEMBL365446 0.88 PSEN1 (0.36) ALDH1A1MAPTMEN1KMT2APSEN1
SCHEMBL366244 0.87 PSEN1 (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL366164 0.86 TSHR (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL365979 0.86 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL366275 0.86 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD

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