SCHEMBL6208710

SCHEMBL6208710

CC(=O)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.67
KDM4E B2RXH2 3/20 0.65
MAPT P10636 1/20 0.65
DAO P14920 1/20 0.65
HPGD P15428 1/20 0.65
SRD5A2 P31213 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
PDGFRB P09619 5/20 0.57
PDGFRA P16234 5/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
IDO1 P14902 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EGFR P00533 2/20 0.54

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
SCHEMBL31277139 0.88 FLT3 (0.77) FLT3KDM4EMAPTDAOHPGD
SCHEMBL68771 0.85 FLT3 (0.71) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3976369 0.83 KDM4E (0.72) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30381896 0.83 KDM4E (0.72) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3119090 0.81 FLT3 (0.67) FLT3KDM4EMAPTDAOHPGD
SCHEMBL2080470 0.81 FLT3 (0.67) FLT3KDM4EMAPTDAOHPGD
SCHEMBL5957825 0.81 FLT3 (0.61) FLT3KDM4EMAPTDAOHPGD
SCHEMBL1327116 0.80 FLT3 (0.64) FLT3KDM4EMAPTDAOHPGD
SCHEMBL31060426 0.80 FLT3 (1.00) FLT3KDM4EMAPTDAOHPGD
SCHEMBL370573 0.80 FLT3 (1.00) FLT3KDM4EMAPTDAOHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed