SCHEMBL12864110

SCHEMBL12864110

CC(C)c1ccc(-c2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.66
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM5B Q9UGL1 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.48
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 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
SCHEMBL1911473 0.88 ALDH1A1 (0.55) CNR2HSD17B10KDM5BKDM4EMEN1
SCHEMBL13086835 0.85 CNR2 (0.55) CNR2HSD17B10KDM5BKDM4EMEN1
SCHEMBL12864090 0.83 CNR2 (0.62) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL16773016 0.81 CNR2 (0.69) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL7294070 0.80 CNR2 (0.62) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL23266880 0.79 ALDH1A1 (0.52) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL18714256 0.79 ALDH1A1 (0.52) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL21202542 0.79 ALDH1A1 (0.52) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL21447902 0.79 OGA (0.54) CNR2HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL2778332 0.79 CNR2 (0.61) CNR2HSD17B10KDM4EMEN1ALDH1A1

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-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 — — US disclosed
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