SCHEMBL6556691

SCHEMBL6556691

CN(C)c1ccc(C(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
IDO2 Q6ZQW0 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
VDR P11473 1/20 0.40
TSHR P16473 5/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL6557998 0.96 SLC2A1 (0.46) SLC2A1ALDH1A1GAAKDM4ENISCH
SCHEMBL9657128 0.87 KMT2A (0.44) SLC2A1ALDH1A1GAAIDO1TDO2
2-Chlorophenyl-Bisphenylmethane(Major) SCHEMBL41575 0.83 IDO1 (0.55) ALDH1A1GAAIDO1TDO2IDO2
SCHEMBL6556711 0.83 CYP1A2 (0.46) SLC2A1ALDH1A1GAAIDO1TDO2
SCHEMBL61350 0.81 SLC2A1 (0.61) SLC2A1ALDH1A1GAAKDM4EMAPT
2-Chlorophenyl-Bisphenylmethane(Major) SCHEMBL29279416 0.81 IDO1 (0.57) ALDH1A1IDO1TDO2IDO2KDM4E
SCHEMBL7110610 0.81 SLC2A1 (0.61) SLC2A1ALDH1A1GAAKDM4EMAPT
SCHEMBL12221116 0.80 IDO1 (0.46) ALDH1A1GAAIDO1TDO2IDO2
SCHEMBL30327071 0.79 ALDH1A1 (0.45) SLC2A1ALDH1A1GAAKDM4EMAPT
Water SCHEMBL10498815 0.79 SLC2A1 (0.59) SLC2A1ALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed