SCHEMBL6686583

SCHEMBL6686583

CN(CCF)c1c(-c2nc3ccccc3s2)c(=O)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ ILK Q13418 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ APP P05067 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 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
SCHEMBL3442682 0.83 ELANE (0.45) PIK3CDPIK3CBILKMAPTHPGD
SCHEMBL28218224 0.77 PIK3CD (0.47) PIK3CDPIK3CBILKMAPTHPGD
SCHEMBL6510910 0.75 PIK3CD (0.53) PIK3CDPIK3CBMAPTHPGDALDH1A1
SCHEMBL28388321 0.75 KDM4E (0.49) PIK3CDPIK3CBILKMAPTHPGD
SCHEMBL4504988 0.73 PIK3CD (0.61) PIK3CDPIK3CBMAPTALDH1A1POLB
SCHEMBL29405604 0.71 ALDH1A1 (0.47) PIK3CDPIK3CBMAPTHPGDALDH1A1
SCHEMBL29462435 0.70 PAX8 (0.37) PIK3CDPIK3CBIRAK4MAPTHPGD
SCHEMBL20021603 0.69 ALDH1A1 (0.48) MAPTHPGDALDH1A1GAAPOLB
SCHEMBL30914645 0.68 ALDH1A1 (0.55) MAPTHPGDALDH1A1GAATHRB
SCHEMBL29249860 0.68 ALDH1A1 (0.55) MAPTHPGDALDH1A1GAATHRB

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
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 — — EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 — — WO disclosed
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