SCHEMBL4752190

SCHEMBL4752190

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(CC(C)(C)O)C2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 6/20 0.34
MGLL Q99685 8/20 0.33
DRD4 P21917 1/20 0.32
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
SRC P12931 2/20 0.31
ABL2 P42684 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4022303 0.89 KDM2B (0.34) KDM2BMGLL
SCHEMBL4752891 0.85 ABL1 (0.37) KDM2BMGLLDRD4ABL1EGFR
SCHEMBL4749392 0.85 MGLL (0.36) KDM2BMGLL
SCHEMBL4018836 0.84 GRIN1 (0.38) KDM2BMGLL
SCHEMBL4021748 0.83 MGLL (0.39) MGLL
SCHEMBL4021759 0.83 MGLL (0.39) MGLL
SCHEMBL4023633 0.82 MGLL (0.39) MGLL
SCHEMBL4023652 0.82 MGLL (0.39) MGLL
SCHEMBL4749457 0.82
SCHEMBL4022671 0.81 NPSR1 (0.39) KDM2BMGLLNPSR1

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