SCHEMBL5679246

SCHEMBL5679246

CCC(C)c1ccc2nc(N)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.51
NCK1 P16333 1/20 0.51
PLAU P00749 1/20 0.50
NCF1 P14598 6/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.45
CTSD P07339 1/20 0.42
NOS2 P35228 1/20 0.40

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
SCHEMBL21800896 0.83 SCN10A (0.42) USP2ALDH1A1GAAPKMHPGD
SCHEMBL681625 0.82 BACE1 (0.58) BACE1NCK1PLAUNCF1CTSD
SCHEMBL31091801 0.79 BACE1 (0.58) BACE1NCK1PLAUNCF1CTSD
SCHEMBL9167387 0.78 ALDH1A1 (0.53) USP2ALDH1A1GAAPKMHPGD
SCHEMBL23848110 0.78 ABCB11 (0.43) USP2ALDH1A1GAAPKMHPGD
SCHEMBL22393977 0.77 SCN10A (0.43) USP2ALDH1A1GAAPKMHPGD
SCHEMBL13399793 0.75 ALDH1A1 (0.53) USP2ALDH1A1GAAPKMHPGD
SCHEMBL20309118 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10
SCHEMBL29473917 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10
SCHEMBL114725 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP claimed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO claimed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed