SCHEMBL9699723

SCHEMBL9699723

S=C1Nc2ccc(-n3ccnc3)cc2CS1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.57
PDE3A Q14432 4/20 0.57
CRBN Q96SW2 3/20 0.57
TBXAS1 P24557 1/20 0.57
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PGR P06401 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ENPP2 Q13822 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NOTUM Q6P988 1/20 0.39
TNIK Q9UKE5 1/20 0.39
IDO1 P14902 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9700754 0.84 PDE3B (0.64) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL9700879 0.78 PSEN1 (0.46) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL9699776 0.77 PDE3B (0.38) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9740131 0.76 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL10463333 0.73 PDE3B (1.00) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9088237 0.72 PDE3B (0.66) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL9700740 0.71 PDE3B (0.64) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL27928423 0.68 PDE3B (0.54) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL11709193 0.67 AHR (0.47) PGRMAPT
SCHEMBL28274911 0.67 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1CYP19A1

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 3 patents. 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
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