SCHEMBL3261455

SCHEMBL3261455

CC(C)(C)OC(=O)c1ccccc1NCc1cncs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.56
ADRA1B P35368 5/20 0.56
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA1D P25100 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
SCD O00767 1/20 0.39
TP53 P04637 1/20 0.37
RAB9A P51151 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1715780 0.80 KDM4C (0.54) LMNATDP1KDM4ESCDRAB9A
SCHEMBL2908569 0.78 NPC1 (0.43) LMNATDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2908930 0.76 ABCB1 (0.44) LMNATDP1RAB9ANPC1SMN1; SMN2
SCHEMBL7439245 0.76 ADRA1A (0.55) ADRA1AADRA1BADRA1DKDM4EGLA
SCHEMBL6197980 0.76 ADRA1A (0.57) ADRA1AADRA1BLMNAKDM4EGLA
SCHEMBL1643649 0.73 KDM4E (0.72) ADRA1AADRA1BTDP1ADRA1DKDM4E
SCHEMBL219602 0.73 ADRA1A (0.55) ADRA1AADRA1BLMNATDP1ADRA1D
SCHEMBL1715462 0.73 PTGS2 (0.46) LMNATDP1KDM4ERAB9AKDM4C
SCHEMBL1716106 0.73 TDP1 (0.39) ADRA1AADRA1BLMNATDP1ADRA1D
SCHEMBL7873424 0.72 ADRA1A (0.54) ADRA1AADRA1BLMNATDP1ADRA1D

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed