SCHEMBL7833453

SCHEMBL7833453

Cn1c(CO)nc2cncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.46
CYP3A4 P08684 13/20 0.46
TSHR P16473 6/20 0.46
CLK4 Q9HAZ1 4/20 0.46
ALDH1A1 P00352 9/20 0.45
CYP2C9 P11712 9/20 0.45
CYP2C19 P33261 6/20 0.45
HSD17B10 Q99714 9/20 0.43
USP2 O75604 7/20 0.43
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
CDK5 Q00535 3/20 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
SCHEMBL27321613 0.81 CYP1A2 (0.47) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL12930107 0.76 PDE10A (0.41) CYP1A2TSHRHSD17B10MEN1KMT2A
SCHEMBL887595 0.74 CYP1A2 (0.50) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL1050215 0.73 BRD4 (0.36) ALDH1A1
SCHEMBL7831798 0.73 HSD17B10 (0.42) ALDH1A1HSD17B10MEN1KMT2AMAPK1
SCHEMBL7822684 0.73 HPGD (0.42) CYP1A2TSHRCYP2C9HSD17B10USP2
SCHEMBL23346841 0.73 CYP1A2 (0.49) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL14879948 0.73 CYP1A2 (0.49) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL25994071 0.72 CYP1A2 (0.47) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL28341211 0.72 CYP1A2 (0.46) CYP1A2CYP3A4TSHRCLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed