SCHEMBL7010607

SCHEMBL7010607

CN(C(=O)c1cc2ccccc2[nH]1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPT P10636 1/20 0.53
DAO P14920 1/20 0.53
HPGD P15428 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CCKAR P32238 1/20 0.52
CCKBR P32239 1/20 0.52
HTR2C P28335 1/20 0.49
MAOB P27338 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL378260 0.81 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL29595772 0.81 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
Hydrochloric Acid SCHEMBL35211567 0.80 FLT3 (0.62) FLT3KDM4EMAPTDAOHPGD
SCHEMBL25106917 0.78 FLT3 (0.61) FLT3KDM4EMAPTDAOHPGD
SCHEMBL34468805 0.77 KDM4E (0.55) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL34468811 0.76 KDM4E (0.57) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL8152104 0.76 CCKBR (0.52) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3246966 0.76 PDGFRB (0.57) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3252732 0.76 FLT3 (0.57) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30944769 0.76 KDM4E (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO disclosed