SCHEMBL3721023

SCHEMBL3721023

CCOC(=O)Cc1cnnc2ncncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
PKM P14618 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
TBXAS1 P24557 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 4/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL3719115 0.80 KDM4E (0.33) TDP1ALDH1A1KDM4EMAPTTSHR
SCHEMBL22345556 0.76 PKM (0.52) SMN1; SMN2KMT2ATDP1PKMALDH1A1
SCHEMBL20459309 0.75 SMN1; SMN2 (0.45) DPP4SMN1; SMN2KMT2ATDP1PKM
SCHEMBL907575 0.73 SMN1; SMN2 (0.43) DPP4SMN1; SMN2KMT2ATDP1PKM
SCHEMBL3720886 0.70 MEN1 (0.40) DPP4SMN1; SMN2KMT2ACA12CA1
SCHEMBL30959500 0.70 DPP4 (0.41) DPP4SMN1; SMN2KMT2ATDP1PKM
SCHEMBL12478230 0.69 SMN1; SMN2 (0.40) DPP4SMN1; SMN2KMT2ATDP1PKM
SCHEMBL10299384 0.69 SMN1; SMN2 (0.42) DPP4SMN1; SMN2KMT2ATDP1PKM
SCHEMBL29104397 0.68 CA12 (0.50) SMN1; SMN2KMT2APKMCA12CA1
SCHEMBL8863393 0.68 SMN1; SMN2 (0.46) SMN1; SMN2KMT2APKMCA12CA1

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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed