SCHEMBL4751835

SCHEMBL4751835

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccc(O)cc2)CN(CC(=O)O)C[C@H]1C(=O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.41
GRIN1 Q05586 9/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL4019756 0.89 GRIN2B (0.40) GRIN2BGRIN1MEN1KMT2AMAPK1
SCHEMBL4019761 0.89 GRIN2B (0.40) GRIN2BGRIN1MEN1KMT2AMAPK1
SCHEMBL4027216 0.87 KMT2A (0.41) GRIN2BGRIN1MEN1KMT2AMAPK1
SCHEMBL4019982 0.83 KMT2A (0.39) GRIN2BMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4019987 0.83 KMT2A (0.39) GRIN2BMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4021213 0.81 GRIN2B (0.38) GRIN2BMEN1KMT2AALDH1A1
SCHEMBL4022415 0.81 GRIN2B (0.38) GRIN2BMEN1KMT2AALDH1A1
SCHEMBL4021208 0.81 GRIN2B (0.38) GRIN2BMEN1KMT2AALDH1A1
SCHEMBL4751821 0.80 MEN1 (0.36) GRIN2BGRIN1MEN1KMT2AMAPK1
SCHEMBL4019759 0.80 MEN1 (0.37) GRIN2BGRIN1MEN1KMT2AALDH1A1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed