SCHEMBL10686293

SCHEMBL10686293

COc1cc(OC)c(-c2nc3[nH]c(=O)ncc3[nH]2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
AMY1A P0DUB6 7/20 0.40
AXL P30530 1/20 0.40
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
PDE2A O00408 1/20 0.35
HPSE Q9Y251 4/20 0.35
PDE5A O76074 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10691571 0.80 PDE2A (0.41) PDE3BPDE3APDE2AHPSEPDE5A
SCHEMBL10692555 0.79 CA2 (0.43) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL10690982 0.78 NPC1 (0.37) AMY1APDE3BPDE3APDE5AKDM4E
SCHEMBL10690686 0.77 EGLN2 (0.39) GRIN1GRIN2BPDE3BPDE3APDE2A
SCHEMBL10689310 0.76 MKNK1 (0.47)
SCHEMBL10687815 0.76 EGFR (0.37) AMY1APDE3BPDE3AKDM4EALDH1A1
SCHEMBL10690895 0.76 TAS2R14 (0.40) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL10692415 0.75 KDM4E (0.41) GRIN1GRIN2BPDE3BPDE3APDE2A
SCHEMBL10692548 0.75 MAPT (0.46) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL10691322 0.73 PDE5A (0.43) PDE3BPDE3APDE5AKDM4EALDH1A1

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
US-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed