SCHEMBL8685646

SCHEMBL8685646

O=C1NC(=Cc2ccc3ccn(CCc4ccccc4)c3c2)C(=O)S1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
APP P05067 3/20 0.39
SNCA P37840 3/20 0.39
BACE1 P56817 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CLK1 P49759 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HPGD P15428 9/20 0.38
BRD4 O60885 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL8685678 0.91 KDM4C (0.42) ALDH1A1HTTAPPSNCACSNK2A2
SCHEMBL8685069 0.89 APP (0.51) ALDH1A1HTTAPPSNCABACE1
SCHEMBL8685637 0.87 HPGD (0.53) HPGD
SCHEMBL8685641 0.87 HPGD (0.53) HPGD
SCHEMBL8690608 0.80 NPC1 (0.54) ALDH1A1HTTAPPSNCABACE1
SCHEMBL8685673 0.78 HPGD (0.53) HPGD
SCHEMBL8685670 0.78 HPGD (0.53) HPGD
SCHEMBL8685618 0.78 PARP1 (0.42) ALDH1A1HTTAPPSNCAHPGD
SCHEMBL8685570 0.77 CYP2A6 (0.53) NOS1APPSNCABACE1BRD4
SCHEMBL8685065 0.76 PIM1 (0.53) APPSNCABACE1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed