SCHEMBL28258189

SCHEMBL28258189

CC(C)(C)C(=O)ON1CCN(c2ccc(C3CC(NCc4ccccc4)C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 1/20 0.37
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ME3 Q16798 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
MAOA P21397 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
SCHEMBL19212456 0.85 SMN1; SMN2 (0.52) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL19212188 0.82 MAPT (0.49) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL27613052 0.80 ACHE (0.54) KMT2AMEN1
SCHEMBL28258253 0.79 ITGB3 (0.37) MAPTGFERKDM1AALDH1A1NAMPT
SCHEMBL27981599 0.77 GPR119 (0.49) MAPTMAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL27822481 0.74 FABP6 (0.48) KMT2AMEN1
SCHEMBL27604310 0.73 FLT1 (0.50) GAAMAPTMAPK1TP53SMN1; SMN2
SCHEMBL28793950 0.73 TACR1 (0.41) L3MBTL1DPP8DPP9DPP7MAOA
SCHEMBL27838203 0.71 FUCA1 (0.44) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27493683 0.71 CXCR4 (0.56) MAOAHDAC4KMT2AMEN1

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
CN-109071560-A Thienopyridine formamide as ubiquitin-specific protease inhibitor 福马治疗股份有限公司 2018-12-21 CN disclosed