SCHEMBL5235258

SCHEMBL5235258

COc1cccc(-c2c(CNC(=O)O)n(C)c(=O)c3ccc(Cl)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.53
KCNA5 P22460 1/20 0.51
KCNH2 Q12809 1/20 0.51
TACR1 P25103 2/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7174997 0.89 DPP4 (0.54) DPP4KCNA5KCNH2TACR1MAPK8
SCHEMBL5233643 0.87 DPP4 (0.59) DPP4KCNA5KCNH2TACR1MAPK8
SCHEMBL5237066 0.87 DPP4 (0.56) DPP4KCNA5KCNH2TACR1MAPK8
SCHEMBL5238950 0.86 DPP4 (0.57) DPP4KCNA5KCNH2MAPTMAPK8
SCHEMBL5236192 0.84 DPP4 (0.58) DPP4KCNA5KCNH2MAPTTP53
SCHEMBL7555668 0.83 DPP4 (0.73) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL5237562 0.83 DPP4 (0.52) DPP4MAPTKMT2AMEN1ALDH1A1
SCHEMBL5237550 0.83 DPP4 (0.52) DPP4MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5238032 0.83 DPP4 (0.71) DPP4KCNA5KCNH2MAPTRXFP1
SCHEMBL5239049 0.81 GRIA2 (0.48) DPP4KCNA5KCNH2TACR1KDM4E

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed