SCHEMBL11490489

SCHEMBL11490489

COC(=O)c1ccccc1-n1c(CCl)nc2cccc(Cl)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
PDE10A Q9Y233 1/20 0.46
PIK3CD O00329 7/20 0.45
MYC P01106 1/20 0.44
PIK3CG P48736 5/20 0.43
PIK3CB P42338 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPBWR1 P48145 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL11489446 0.84 TSHR (0.71) TSHRPDE10AMYCKDM4E
SCHEMBL11563775 0.83 TSHR (0.54) TSHRMYCKDM4ENR4A2
SCHEMBL734149 0.83 PIK3CG (0.54) PDE10APIK3CDPIK3CGPIK3CBKDM4E
SCHEMBL734099 0.82 PIK3CG (0.59) PDE10APIK3CDPIK3CGPIK3CBKDM4E
SCHEMBL733511 0.81 PIK3CD (0.61) PDE10APIK3CDPIK3CGPIK3CBKDM4E
SCHEMBL11473835 0.80 TSHR (0.55) TSHRPDE10AMYCKDM4E
SCHEMBL733278 0.79 PIK3CG (0.56) PDE10APIK3CDPIK3CGPIK3CBKDM4E
SCHEMBL11486300 0.79 TSHR (0.54) TSHR
SCHEMBL11478099 0.77 TSHR (0.54) TSHRMYCKDM4E
SCHEMBL11482821 0.77 TSHR (0.56) TSHRPDE10AKDM4E

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-4187306-A Benzodiazepine-diones, a process for their production and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-05 US disclosed
EP-0000538-A1 6,7-Dihydro-5H,13H-quinazolino(3,2-a)(1,4)benzodiazepine-5,13-diones, process for their preparation and their use as medicaments. BAYER AG (DE) 1979-02-07 EP disclosed