SCHEMBL366403

SCHEMBL366403

COCC(C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 3/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 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
MEN1 O00255 3/20 0.35
GCK P35557 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
SCHEMBL364154 0.90 MAPT (0.39) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL366083 0.89 PSEN1 (0.38) KDM4EALDH1A1TSHRMAPK1KMT2A
SCHEMBL366259 0.88 ALDH1A1 (0.36) KDM4EALDH1A1LMNAPSEN1PSEN2
SCHEMBL366563 0.87 TSHR (0.40) KDM4EALDH1A1TSHRHSD17B10KMT2A
SCHEMBL364973 0.86 KMT2A (0.42) KDM4EALDH1A1GAATSHRKMT2A
SCHEMBL367128 0.86 ALDH1A1 (0.35) KDM4EALDH1A1TSHRHSD17B10KMT2A
SCHEMBL367500 0.86 PSEN1 (0.35) KDM4EALDH1A1TSHRMAPK1KMT2A
SCHEMBL366164 0.86 TSHR (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL364626 0.86 ALDH1A1 (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL367591 0.85 PSEN1 (0.35) KDM4EALDH1A1TSHRKMT2ALMNA

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