SCHEMBL4303560

SCHEMBL4303560

O=C(O)[C@@H]1CNC(=O)N1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AGTR2 P50052 1/20 0.36
HPGD P15428 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
GAA P10253 4/20 0.35
ALOX5 P09917 2/20 0.35
G6PD P11413 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 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
SCHEMBL22241342 0.86 MEN1 (0.42) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL6987111 0.80 NOTUM (0.50) NOTUMALOX5
SCHEMBL15775108 0.75 MEN1 (0.37) MEN1KMT2AGAAALOX5G6PD
SCHEMBL15775916 0.74 MEN1 (0.39) MEN1KMT2AGAAALOX5G6PD
SCHEMBL22560034 0.74 MEN1 (0.42) MEN1KMT2AGAAALOX5G6PD
SCHEMBL31663152 0.74 GAA (0.44) MEN1KMT2AHPGDGAAALOX5
SCHEMBL2234874 0.74 GAA (0.44) MEN1KMT2AHPGDGAAALOX5
SCHEMBL4553559 0.73 QPCT (0.51) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6228521 0.72 PARP3 (0.35) KMT2AGAAALDH1A1RAB9AKDM4E
SCHEMBL289664 0.71 P2RX7 (0.51) NOTUMMEN1KMT2AITGB1ITGA5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed