SCHEMBL9700837

SCHEMBL9700837

Cc1cc(-n2ccnc2)cc2c1NC(=O)SC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
CRBN Q96SW2 3/20 0.43
TBXAS1 P24557 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IGF1R P08069 1/20 0.38
ADH5 P11766 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE2A O00408 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
IDO1 P14902 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
SCHEMBL9699776 0.85 PDE3B (0.38) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700770 0.81 NR2E1 (0.36) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL9701801 0.80 NR2E1 (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL9700811 0.78 PDE3B (0.43) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700754 0.77 PDE3B (0.64) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700769 0.72
SCHEMBL9700822 0.68 CYP11B1 (0.42) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700823 0.66 NR2E1 (0.36)
SCHEMBL9699723 0.64 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL16673120 0.63 CYP3A4 (0.62) CYP11B1CYP11B2ADH5IDO1

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