SCHEMBL212323

SCHEMBL212323

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 3/20 0.37
PTGFR P43088 4/20 0.35
RORC P51449 1/20 0.35
MMP2 P08253 2/20 0.33
MMP8 P22894 2/20 0.33
MMP12 P39900 2/20 0.33
THRB P10828 1/20 0.33
FOLH1 Q04609 1/20 0.33
MMP3 P08254 1/20 0.33
MMP10 P09238 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL210464 0.93 MAPT (0.41) MAPTSMN1; SMN2TP53PTGFRRORC
SCHEMBL212834 0.86 MAPT (0.41) MAPTSMN1; SMN2TP53PTGFRRORC
SCHEMBL209967 0.81 CTSK (0.37) PTGFRFOLH1RAB9A
SCHEMBL212350 0.81 MAOB (0.35) MAPTFOLH1RAB9A
SCHEMBL214098 0.81 MAPT (0.38) MAPTSMN1; SMN2TP53PTGFRRORC
SCHEMBL212433 0.81 RAB9A (0.41) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2836729 0.81 RAB9A (0.41) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2725003 0.80 MAPT (0.40) MAPTSMN1; SMN2TP53PTGFRRORC
SCHEMBL212136 0.79 MAPT (0.40) MAPTSMN1; SMN2TP53RORCTHRB
SCHEMBL2725247 0.79 MAPT (0.41) MAPTSMN1; SMN2TP53RORCTHRB

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