SCHEMBL366531

SCHEMBL366531

Cc1ccc2c(C#N)c3c(OCCc4ccccc4)cc(OC(=O)N(C)C)cn3c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ACHE P22303 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SCN9A Q15858 1/20 0.33
STAT3 P40763 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL366080 0.91 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL365006 0.87 LTB4R (0.35) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL365216 0.85 ACHE (0.36) MEN1KMT2AMAPK1KDM4ENPC1
SCHEMBL366816 0.84 KMT2A (0.37) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL367691 0.83 ACHE (0.40) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL365114 0.80 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL366530 0.79 CYP11B1 (0.35) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL365189 0.78 ACHE (0.37) ALDH1A1ACHECYP11B1CYP11B2SCN9A
SCHEMBL366612 0.76 ACHE (0.38) KMT2AACHECYP11B1CYP11B2SCN9A
SCHEMBL366618 0.76 MEN1 (0.37) MEN1KMT2AALDH1A1MAPK1POLB

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed