SCHEMBL9700832

SCHEMBL9700832

Cc1cn(-c2ccc3c(c2)CSC(=O)N3)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.46
PSEN2 P49810 9/20 0.46
APH1B Q8WW43 9/20 0.46
NCSTN Q92542 9/20 0.46
APH1A Q96BI3 9/20 0.46
PSENEN Q9NZ42 9/20 0.46
CYP3A4 P08684 7/20 0.46
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
TBXAS1 P24557 1/20 0.39
CRBN Q96SW2 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL9701788 0.99 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700879 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700770 0.80 NR2E1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL9701801 0.79 NR2E1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700738 0.79 HSD11B1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700754 0.78 PDE3B (0.64) CYP3A4PDE3BPDE3ATBXAS1CRBN
SCHEMBL9699737 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9699892 0.77 CYP3A4 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2813793 0.70 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27985278 0.68 CYP1A2 (0.65) 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 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