SCHEMBL9700822

SCHEMBL9700822

Cc1cc(-n2ccnc2)cc2c1OC(=O)NC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
CRBN Q96SW2 3/20 0.41
TBXAS1 P24557 1/20 0.41
IGF1R P08069 2/20 0.38
ADH5 P11766 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9700811 0.73 PDE3B (0.43) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL9700819 0.71 CYP11B1 (0.41) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL9700837 0.68 PDE3B (0.43) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL16673120 0.64 CYP3A4 (0.62) CYP11B1CYP11B2ADH5IDO1
SCHEMBL18288736 0.63 CYP3A4 (0.52) CYP11B1CYP11B2IDO1HTT
SCHEMBL872411 0.63 LMNA (0.53) CYP11B1CYP11B2IDO1HTT
SCHEMBL9699776 0.63 PDE3B (0.38) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL7349312 0.63 PDE3B (0.50) CYP11B1CYP11B2PDE3BPDE3AIGF1R
SCHEMBL23137976 0.63 PDE3B (0.56) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL12117429 0.63 CYP11B1 (0.56) CYP11B1CYP11B2PDE3BPDE3AADH5

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-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed