SCHEMBL210464

SCHEMBL210464

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RORC P51449 1/20 0.36
THRB P10828 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
FOLH1 Q04609 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGFR P43088 3/20 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
SCHEMBL212323 0.93 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212350 0.89 MAOB (0.35) MAPTFOLH1RAB9A
SCHEMBL212147 0.85 MAPT (0.42) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL210625 0.83 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL211523 0.81 CTSK (0.38) FOLH1RAB9A
SCHEMBL2840754 0.81 CTSK (0.38) FOLH1RAB9A
SCHEMBL2724891 0.80 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL2724118 0.79 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212235 0.78 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL212834 0.78 MAPT (0.41) 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