SCHEMBL2841379

SCHEMBL2841379

CNC(CCCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GCG P01275 1/20 0.39
MTOR P42345 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
WNT3A P56704 1/20 0.38
CHEK1 O14757 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
ABL1 P00519 5/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
EGFR P00533 2/20 0.35
ERBB3 P21860 2/20 0.35

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
SCHEMBL211142 0.91 CTSK (0.42) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL211143 0.91 CTSK (0.42) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL10278482 0.88 CTSK (0.45) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL9606798 0.85 NOTUM (0.47) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL215046 0.81 ALDH1A1 (0.48) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL213835 0.80 KDM4E (0.47) CTSKNOTUMKDM4EALDH1A1MTOR
SCHEMBL213605 0.79 KDM4E (0.46) NOTUMKDM4EALDH1A1EGLN1WNT3A
SCHEMBL14733483 0.79 NOTUM (0.41) CTSKNOTUMKDM4EALDH1A1GCG
SCHEMBL210115 0.79 MAP4K1 (0.46) NOTUMWNT3AMAPK1
SCHEMBL210114 0.79 MAP4K1 (0.46) NOTUMWNT3AMAPK1

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed