SCHEMBL27726323

SCHEMBL27726323

CC(C)(C)NC(=O)OC(CN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TACR3 P29371 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RAB9A P51151 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL27726319 1.00 MAPT (0.46) MAPTLMNAKMT2AMEN1TACR3
SCHEMBL29112408 1.00 MAPT (0.46) MAPTLMNAKMT2AMEN1TACR3
SCHEMBL28862367 0.86 MAPT (0.47) MAPTLMNAKMT2AMEN1TACR3
SCHEMBL20482479 0.86 KMT2A (0.48) MAPTLMNAKMT2AMEN1TACR3
SCHEMBL27747222 0.84 AOC3 (0.42) SLC6A2SLC6A4NPC1HTTRAB9A
SCHEMBL27910721 0.84 ALDH1A1 (0.38) MAPTLMNAKMT2AMEN1HTT
SCHEMBL27747207 0.84 MAPT (0.44) MAPTSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL27726392 0.84 MAPT (0.44) MAPTSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL28766156 0.83 BCAT2 (0.50) MAPTLMNAKMT2AMEN1TACR3
SCHEMBL19926299 0.83 GABBR2 (0.42) LMNAKMT2ASLC6A4SLC6A3GABBR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666001-B Method for preparing Elagolix intermediate by multi-step method 安徽华胜医药科技有限公司 2022-06-17 CN claimed
CN-109666001-B Method for preparing Elagolix intermediate by multi-step method 安徽华胜医药科技有限公司 2022-06-17 CN disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed