SCHEMBL14742913

SCHEMBL14742913

COC(=O)c1cc(NC(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KCNMA1 Q12791 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
PTPN1 P18031 1/20 0.45
PLAU P00749 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14743107 0.89 LMNA (0.49) RAB9AKDM4EMAPK1HSD17B10NPSR1
SCHEMBL14743705 0.87 MEN1 (0.51) RAB9AKDM4EHDAC1HDAC8HDAC6
SCHEMBL14743993 0.86 MAPK1 (0.56) RAB9AKDM4EMAPK1L3MBTL1KCNMA1
SCHEMBL14743714 0.85 MAPT (0.56) RAB9AKDM4ENPSR1MAPTHPGD
SCHEMBL14744278 0.84 ALDH1A1 (0.57) RAB9AKDM4EHDAC1MAPTHPGD
SCHEMBL14743294 0.83 POLB (0.55) RAB9AMAPK1HDAC1HDAC8HDAC6
SCHEMBL14743980 0.82 NPC1 (0.51) RAB9AKDM4EMAPTHPGDALDH1A1
SCHEMBL14744260 0.82 SMN1; SMN2 (0.55) RAB9AKDM4EMAPK1HPGDALDH1A1
SCHEMBL14743721 0.82 ALDH1A1 (0.54) KDM4EHSD17B10MAPTHPGDALDH1A1
SCHEMBL14743299 0.81 ALDH1A1 (0.42) RAB9AKDM4EHSD17B10L3MBTL1MAPT

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed