SCHEMBL9699776

SCHEMBL9699776

Cc1cc(-n2ccnc2)cc2c1NC(=S)SC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
CRBN Q96SW2 3/20 0.38
TBXAS1 P24557 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADH5 P11766 6/20 0.34
IGF1R P08069 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGR P06401 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL9700837 0.85 PDE3B (0.43) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9699723 0.77 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700811 0.72 PDE3B (0.43) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700754 0.64 PDE3B (0.64) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL16673120 0.63 CYP3A4 (0.62) CYP11B1CYP11B2ADH5CYP3A4
SCHEMBL9700822 0.63 CYP11B1 (0.42) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL18288736 0.63 CYP3A4 (0.52) CYP11B1CYP11B2CYP3A4
SCHEMBL872411 0.63 LMNA (0.53) CYP11B1CYP11B2CYP3A4
SCHEMBL12117429 0.62 CYP11B1 (0.56) PDE3BPDE3ACYP11B1CYP11B2ADH5
SCHEMBL3951714 0.62 KDM4E (0.52) PDE3BPDE3ACYP11B1CYP11B2ADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US claimed
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
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US disclosed
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 disclosed