SCHEMBL365490

SCHEMBL365490

COc1cc(OC(=O)N(C)C)cn2c1c(C(N)=O)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL367734 0.90 ATM (0.40) NCEH1KMT2AMEN1RAB9APKM
SCHEMBL365256 0.87 EGFR (0.40) NCEH1KMT2AMEN1EGFRSRC
SCHEMBL366612 0.84 ACHE (0.38) NCEH1KMT2ASMN1; SMN2
SCHEMBL365837 0.82 CNR2 (0.37) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL366374 0.81 ALDH1A1 (0.38) KMT2AMEN1
SCHEMBL366481 0.81 ACHE (0.39) SMN1; SMN2RAB9ANPC1
SCHEMBL367766 0.80 L3MBTL1 (0.43) KMT2AEGFRSRCSMN1; SMN2RAB9A
SCHEMBL365192 0.80 EGFR (0.41) KMT2AMEN1EGFRSRCSMN1; SMN2
SCHEMBL367237 0.80 TSHR (0.49) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL367225 0.80 KMT2A (0.40) KMT2AMEN1EGFRSRCSMN1; SMN2

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