SCHEMBL366259

SCHEMBL366259

CC(Cc1ccccc1)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
PTPN1 P18031 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PPARG P37231 2/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
SLC2A1 P11166 1/20 0.34
ADAM17 P78536 1/20 0.34
SRD5A1 P18405 2/20 0.34

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
SCHEMBL364154 0.90 MAPT (0.39) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL366083 0.89 PSEN1 (0.38) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL367128 0.88 ALDH1A1 (0.35) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL366403 0.88 KDM4E (0.37) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL366563 0.87 TSHR (0.40) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL367500 0.86 PSEN1 (0.35) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL367591 0.85 PSEN1 (0.35) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL365618 0.85 L3MBTL1 (0.39) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL366258 0.84 KMT2A (0.48) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL364973 0.84 KMT2A (0.42) ALDH1A1LMNAPSEN1PSEN2APH1B

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