SCHEMBL435825

SCHEMBL435825

COc1ccc(Cl)c2c(N)c(C(=O)O)cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.50
CLCN2 P51788 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
EGFR P00533 2/20 0.37
KMO O15229 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL439833 0.89 HAVCR2 (0.53) HAVCR2CLCN2ALDH1A1MRGPRX4EGFR
SCHEMBL440068 0.84 HAVCR2 (0.63) HAVCR2ALDH1A1KMOMAPTTDP1
SCHEMBL440489 0.84 DPP4 (0.53) MAPTKMT2A
SCHEMBL442158 0.82 HAVCR2 (0.54) HAVCR2CLCN2ALDH1A1PDE4AMAPT
SCHEMBL439519 0.81 DYRK1A (0.39) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL438319 0.77 NQO2 (0.36) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL439862 0.75 HAVCR2 (0.63) HAVCR2KMT2A
SCHEMBL438246 0.74 DPP4 (0.56) MAPTKMT2A
SCHEMBL437260 0.71 HAVCR2 (0.67) HAVCR2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL437796 0.70 NPC1 (0.54) ALDH1A1MAPTKDM4EKMT2A

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed