SCHEMBL20713624

SCHEMBL20713624

CNC(=O)[C@@H](C)Cc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 2/20 0.72
APAF1 O14727 1/20 0.72
RECQL P46063 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MMP9 P14780 9/20 0.67
MMP8 P22894 8/20 0.67
MMP1 P03956 5/20 0.67
MMP3 P08254 5/20 0.67
CTDSP1 Q9GZU7 1/20 0.65
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL12358201 0.87 MAPT (0.70) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL7854107 0.87 KDM4E (0.70) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL12358205 0.87 MAPT (0.70) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL22277253 0.86 KDM4E (0.60) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL17017538 0.86 POLB (0.69) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL7678071 0.85 KDM4E (0.67) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL19687957 0.85 KDM4E (0.67) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL6577399 0.84 MMP9 (0.66) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL631048 0.84 KDM4E (0.70) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL29850214 0.84 KDM4E (0.70) POLBKDM4EMAPTAPAF1RECQL

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-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed