SCHEMBL9700738

SCHEMBL9700738

Cc1cn(-c2ccc3c(c2)CSC(=O)N3)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
CYP3A4 P08684 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
CRBN Q96SW2 5/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
EPHX2 P34913 1/20 0.31
DDB1 Q16531 1/20 0.31
TBXAS1 P24557 1/20 0.31
PDE2A O00408 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30

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
SCHEMBL9701071 0.85 HSD11B1 (0.34) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9700769 0.80
SCHEMBL7347474 0.80 CRBN (0.51) PDE3BPDE3ACRBNNR3C1TBXAS1
SCHEMBL9700832 0.79 PSEN1 (0.46) PDE3BPDE3APSEN1PSEN2APH1B
SCHEMBL9700875 0.78 CYP11B1 (0.43) HSD11B1PDE3BPDE3APSEN1PSEN2
Hydrochloric Acid SCHEMBL9701788 0.78 PSEN1 (0.45) PDE3BPDE3APSEN1PSEN2APH1B
SCHEMBL9700754 0.69 PDE3B (0.64) PDE3BPDE3ACYP3A4CRBNTBXAS1
SCHEMBL9699790 0.68 ALDH1A1 (0.30) MAPT
SCHEMBL10681028 0.67 PDE3B (0.61) PDE3BPDE3APDE2A
SCHEMBL20929265 0.66 PARP1 (0.43)

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