SCHEMBL212412

SCHEMBL212412

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc(-c2ccccc2)no1)C[C@H](O)COP(=O)(O)O.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.37
TP53 P04637 5/20 0.35
SMN1; SMN2 Q16637 7/20 0.34
RORC P51449 1/20 0.34
THRB P10828 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT2 Q96PD7 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
SCHEMBL212656 0.99 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL210459 0.99 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212657 0.99 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212655 0.99 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL2837592 0.95 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212411 0.93 MAPT (0.39) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL213587 0.92 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL213588 0.92 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL213589 0.92 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL213995 0.92 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed