SCHEMBL4752161

SCHEMBL4752161

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(CCO)CC2)C[C@@H]1c1cc[c]cc1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
SRC P12931 1/20 0.32
ABL2 P42684 1/20 0.32
ESRRG P62508 1/20 0.30

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
SCHEMBL4752865 0.93
SCHEMBL4752891 0.88 ABL1 (0.37) KDM2BABL1EGFRLCKSRC
SCHEMBL4749442 0.85
SCHEMBL4749439 0.85
SCHEMBL4814727 0.84 MGLL (0.33) KDM2B
SCHEMBL4749213 0.83 ALDH1A1 (0.32) KDM2B
SCHEMBL4749216 0.83 ALDH1A1 (0.32) KDM2B
SCHEMBL4752137 0.82 KDM2B (0.32) KDM2B
SCHEMBL4749387 0.82 KDM2B (0.32) KDM2B
SCHEMBL4751559 0.80 MEN1 (0.32)

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