SCHEMBL9700819

SCHEMBL9700819

Cc1cc(-n2ccnc2)cc2c1O[N+](=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
CRBN Q96SW2 3/20 0.38
TBXAS1 P24557 1/20 0.38
ADH5 P11766 5/20 0.36
IDO1 P14902 1/20 0.34
CYP3A4 P08684 2/20 0.33
IGF1R P08069 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33

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
SCHEMBL9700822 0.71 CYP11B1 (0.42) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL9700811 0.65 PDE3B (0.43) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL16673120 0.63 CYP3A4 (0.62) CYP11B1CYP11B2ADH5IDO1CYP3A4
SCHEMBL18288736 0.63 CYP3A4 (0.52) CYP11B1CYP11B2IDO1CYP3A4BAZ2B
SCHEMBL872411 0.63 LMNA (0.53) CYP11B1CYP11B2IDO1CYP3A4BAZ2B
SCHEMBL9700837 0.62 PDE3B (0.43) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL12117429 0.62 CYP11B1 (0.56) CYP11B1CYP11B2PDE3BPDE3AADH5
SCHEMBL3951714 0.62 KDM4E (0.52) CYP11B1CYP11B2PDE3BPDE3AADH5
SCHEMBL5136657 0.62 LMNA (0.49) CYP11B1CYP11B2PDE3BPDE3AADH5
SCHEMBL4336106 0.60 CYP11B1 (0.49) CYP11B1CYP11B2PDE3BPDE3AIDO1

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