SCHEMBL212350

SCHEMBL212350

CC(OC(=O)Nc1cc(-c2ccccc2)on1)[C@H](CCC(=O)O)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
FOLH1 Q04609 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD5 Q86SK9 2/20 0.34
SCD O00767 1/20 0.34
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 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
SCHEMBL210464 0.89 MAPT (0.41) FOLH1MAPTRAB9A
SCHEMBL212596 0.85 MAOB (0.35) MAOBFOLH1LMNAMAPTRAB9A
SCHEMBL211523 0.85 CTSK (0.38) MAOBFOLH1RAB9AKDM4EP2RX7
SCHEMBL2840754 0.85 CTSK (0.38) MAOBFOLH1RAB9AKDM4EP2RX7
SCHEMBL210987 0.82 FOLH1 (0.36) MAOBFOLH1LMNAMAPTRAB9A
SCHEMBL212050 0.81 ABL1 (0.38) RAB9ACTSK
SCHEMBL212323 0.81 MAPT (0.40) FOLH1MAPTRAB9A
SCHEMBL2726698 0.79 SCD5 (0.35) MAOBLMNAMAPTRAB9AL3MBTL1
SCHEMBL212861 0.78 KDM4E (0.38) MAOBFOLH1LMNAMAPTRAB9A
SCHEMBL2724049 0.78 SCD5 (0.34) MAOBFOLH1LMNAMAPTRAB9A

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