SCHEMBL8335135

SCHEMBL8335135

CCOC(=O)c1cc(-c2csc(-c3csc(C)n3)n2)c(=O)[nH]c1C

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 16/20 0.74
CDK5R1 Q15078 16/20 0.74
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47

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
SCHEMBL5901418 0.85 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5902427 0.85 CDK5 (0.85) CDK5CDK5R1
SCHEMBL8324986 0.83 CDK5 (0.75) CDK5CDK5R1ALDH1A1GAA
SCHEMBL5901558 0.83 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5902111 0.83 CDK5 (0.78) CDK5CDK5R1MAPTALDH1A1LMNA
SCHEMBL5901524 0.83 CDK5 (0.71) CDK5CDK5R1MAPTALDH1A1LMNA
SCHEMBL5902446 0.83 CDK5 (0.71) CDK5CDK5R1MAPTALDH1A1LMNA
SCHEMBL5902540 0.83 CDK5 (0.80) CDK5CDK5R1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8335335 0.82 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5901425 0.81 CDK5 (0.66) CDK5CDK5R1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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