SCHEMBL7995980

SCHEMBL7995980

COc1ccc2c(N)cc(-n3ccc(C(F)(F)F)n3)nc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.38
PDE4B Q07343 11/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
G6PD P11413 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL313605 0.89 PDE4B (0.37) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL7995997 0.88 PRMT6 (0.41) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL8011560 0.88 PDE4B (0.37) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL313603 0.87 MAPT (0.37) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL8006515 0.81 PRMT6 (0.39) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL8007978 0.81 G6PD (0.33) NPC1RAB9AG6PDPDE10ACYP19A1
SCHEMBL314607 0.80 CSF1R (0.36) MAPT
SCHEMBL585995 0.77 MAPT (0.35) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL7996058 0.76 PDE4B (0.38) PRMT6PDE4BPDE4APDE4CPDE4D
SCHEMBL313117 0.75 NPC1 (0.37) PRMT6PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed