SCHEMBL212322

SCHEMBL212322

COC(=O)CC[C@@H](COC(=O)Nc1cc(-c2ccccc2)no1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
SMN1; SMN2 Q16637 8/20 0.37
TP53 P04637 5/20 0.36
RORC P51449 1/20 0.35
THRB P10828 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX4 Q99571 1/20 0.32
BRAF P15056 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGFR P43088 2/20 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
SCHEMBL212833 0.94 MAPT (0.41) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL210463 0.93 MAPT (0.41) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL214097 0.89 MAPT (0.38) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL212791 0.88 MAPT (0.40) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL4343014 0.88 MAPT (0.37) MAPTSMN1; SMN2TP53RORC
SCHEMBL2725003 0.87 MAPT (0.40) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL212146 0.87 MAPT (0.42) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL212601 0.86 MAPT (0.37) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL2838804 0.86 MAPT (0.37) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL211287 0.85 MAPT (0.34) MAPTSMN1; SMN2TP53

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