SCHEMBL9700879

SCHEMBL9700879

Cc1cn(-c2ccc3c(c2)CSC(=S)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 6/20 0.46
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
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
TBXAS1 P24557 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CRBN Q96SW2 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
SCHEMBL9700832 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL9701788 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700823 0.80 NR2E1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9701071 0.79 HSD11B1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9699723 0.78 PDE3B (0.57) CYP3A4CYP19A1TBXAS1PDE3BPDE3A
SCHEMBL9699737 0.72 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27985278 0.68 CYP1A2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9700770 0.67 NR2E1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11709193 0.67 AHR (0.47)
Hydrochloric Acid SCHEMBL9701801 0.66 NR2E1 (0.35) 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