SCHEMBL210463

SCHEMBL210463

COC(=O)CC[C@@H](COC(=O)Nc1cc(-c2ccccc2)no1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
TP53 P04637 5/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
RORC P51449 1/20 0.36
THRB P10828 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRAF P15056 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL212791 0.96 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212146 0.94 MAPT (0.42) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212322 0.93 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL210624 0.91 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212349 0.89 MAPT (0.34) MAPTTP53THRBRAB9ANPC1
SCHEMBL4355824 0.88 MAPT (0.38) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL2724891 0.87 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212833 0.87 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL210876 0.85 GPR119 (0.39) MAPTTP53USP30
SCHEMBL213271 0.84 SCD5 (0.34) MAPTTHRBRAB9ANPC1MEN1

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