SCHEMBL13862602

SCHEMBL13862602

CC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TBXA2R P21731 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGIR P43119 1/20 0.44
PTGDR Q13258 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
CD38 P28907 1/20 0.41
PDE7A Q13946 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MASP2 O00187 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13862592 0.87 L3MBTL1 (0.44) LMNAKDM4EHSD17B10PDE7AL3MBTL1
SCHEMBL2892860 0.80 SLC6A2 (0.50) LMNAKDM4EHSD17B10L3MBTL1GAA
SCHEMBL13862601 0.80 IDH1 (0.43) KDM4EHSD17B10L3MBTL1MAPTKMT2A
SCHEMBL2888424 0.76 HTR2A (0.45) LMNAKDM4EHSD17B10L3MBTL1GAA
SCHEMBL9119625 0.72 KDM4E (0.60) LMNAHDAC1KDM4EHSD17B10GAA
SCHEMBL2890443 0.71 KDM4E (0.58) LMNAHDAC1KDM4EHSD17B10MAPT
SCHEMBL4311940 0.70 KDM4E (0.66) LMNAKDM4EHSD17B10GAASMN1; SMN2
SCHEMBL29822237 0.70 KDM4E (0.66) LMNAKDM4EHSD17B10GAASMN1; SMN2
SCHEMBL2890509 0.70 SLC6A2 (0.46) LMNAKDM4EL3MBTL1GAAMAPT
SCHEMBL6301593 0.70 HDAC1 (0.54) LMNAHDAC1HDAC8HDAC6KDM4E

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
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed