SCHEMBL365489

SCHEMBL365489

COc1cc(OC(=O)N(C)C)cc2c1c(C(N)=O)c1ccccn12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
RAB9A P51151 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 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
SCHEMBL367733 0.90 KMT2A (0.38) KMT2AMEN1NCEH1RAB9AALDH1A1
SCHEMBL365255 0.87 RAB9A (0.37) KMT2AMEN1NCEH1RAB9AALDH1A1
SCHEMBL366611 0.84 ACHE (0.38) KMT2AMEN1ALDH1A1
SCHEMBL366817 0.82 NPC1 (0.39) RAB9AALDH1A1
SCHEMBL367759 0.82 STS (0.41) KMT2AMEN1MKNK2ALDH1A1
SCHEMBL365836 0.82 MAPT (0.38) KMT2AMEN1RAB9AALDH1A1
SCHEMBL366480 0.81 ACHE (0.39) KMT2AMEN1RAB9AALDH1A1PKM
SCHEMBL366373 0.81 MAPT (0.37) KMT2AMEN1ALDH1A1
SCHEMBL367236 0.81 TSHR (0.47) KMT2AMEN1RAB9A
SCHEMBL365191 0.80 MKNK2 (0.40) KMT2AMEN1RAB9AMKNK2ALDH1A1

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