SCHEMBL9701071

SCHEMBL9701071

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
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
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 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
SCHEMBL9700738 0.85 HSD11B1 (0.34) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9699790 0.80 ALDH1A1 (0.30) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL9700879 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7347474 0.74 CRBN (0.51) ALDH1A1MAPTNR3C1
SCHEMBL9700875 0.72 CYP11B1 (0.43) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9699723 0.69 PDE3B (0.57) CYP3A4MAPT
SCHEMBL9700769 0.68
SCHEMBL20929265 0.66 PARP1 (0.43)
SCHEMBL11709193 0.66 AHR (0.47) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL9700832 0.63 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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
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
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