SCHEMBL16358105

SCHEMBL16358105

CC1(C)OCC(CCCc2ccc(-c3c(C#N)c(N)nc(S)c3C#N)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.36
▸ HSD17B10 Q99714 8/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 9/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ NPSR1 Q6W5P4 5/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.33

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
SCHEMBL12163726 0.94 KDM4E (0.38) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL10194193 0.94 KDM4E (0.38) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL3602017 0.82 ADORA2B (0.43) KDM4EHSD17B10MEN1KMT2AMAPT
SCHEMBL252404 0.82 ADORA2B (0.43) KDM4EHSD17B10MEN1KMT2AMAPT
SCHEMBL381709 0.82 ADORA2B (0.43) KDM4EHSD17B10MEN1KMT2AMAPT
SCHEMBL16357762 0.79 ADORA1 (0.46) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL12163724 0.78 MAPT (0.46) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL3304369 0.78 KDM4E (0.34) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL12163643 0.76 ADORA1 (0.47) KDM4EHSD17B10MEN1KMT2AMAPK1
SCHEMBL14464210 0.76 KDM4E (0.40) KDM4EHSD17B10MEN1KMT2AMAPK1

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-2010072314-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-01 — — WO disclosed
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