SCHEMBL3346515

SCHEMBL3346515

CC(=O)C(Cc1ccc(-n2cccn2)cc1)C(O)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
GCGR P47871 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
HDAC4 P56524 1/20 0.40
CHRM1 P11229 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL3346512 0.86 KDM4E (0.42) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL15648532 0.85 KDM4E (0.49) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL2574724 0.81 GCGR (0.41) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL20630516 0.79 SLC7A5 (0.54) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL20630517 0.79 SLC7A5 (0.54) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL27801748 0.78 DRD2 (0.42) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL7274790 0.75 MDM2 (0.53) LMNA
SCHEMBL7274800 0.75 MDM2 (0.53) LMNA
SCHEMBL7256083 0.75 CAPN1 (0.46) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL3094168 0.75 KDM4E (0.50) DRD2DRD4DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 CN disclosed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed