SCHEMBL6243166

SCHEMBL6243166

CCOC(=O)c1cc(-c2csc(-c3ccc4c(c3)OCO4)n2)c(=O)[nH]c1C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 15/20 0.70
CDK5R1 Q15078 15/20 0.70
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PRKCI P41743 1/20 0.49
PRKCZ Q05513 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
NPC1 O15118 1/20 0.46
CLK1 P49759 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5902416 0.91 CDK5 (0.71) CDK5CDK5R1KDM4EHSD17B10TP53
SCHEMBL5901558 0.83 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5902427 0.83 CDK5 (0.85) CDK5CDK5R1
SCHEMBL5901418 0.83 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5902540 0.82 CDK5 (0.80) CDK5CDK5R1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8335335 0.81 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5902111 0.81 CDK5 (0.78) CDK5CDK5R1ALDH1A1
SCHEMBL5901589 0.81 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5902520 0.81 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5901436 0.80 CDK5 (0.81) CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed