SCHEMBL5280644

SCHEMBL5280644

Cc1noc(C)c1C1CN(C(N)=O)CCC1CCNC(=O)COCc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.34
HDAC3 O15379 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
GRM5 P41594 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL6038154 0.76 SMO (0.40) TPSAB1TPSD1TPSG1MAPTKMT2A
SCHEMBL5287833 0.74 LMNA (0.43) LMNAMAPTALDH1A1HSD17B10KMT2A
SCHEMBL5277959 0.70 CHRM4 (0.42) TPSAB1TPSD1TPSG1KMT2A
SCHEMBL5281643 0.65 GPR119 (0.49)
SCHEMBL5291871 0.65 FAAH (0.51) ALDH1A1KMT2AHDAC3MEN1
SCHEMBL5280999 0.65 POLB (0.50) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL5277951 0.65 GRIN2B (0.43) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL5282980 0.64 CHRM4 (0.42) TPSAB1TPSD1TPSG1LMNA
SCHEMBL5279858 0.64 GPR119 (0.44)
SCHEMBL5292648 0.64 L3MBTL1 (0.49) MAPTKMT2A

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed