SCHEMBL3671404

SCHEMBL3671404

CC(C)(C)OC(=O)[C@@H](CO)CCN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CPB2 Q96IY4 2/20 0.34
GABRR1 P24046 2/20 0.33
PRKCA P17252 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NR1H2 P55055 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3622338 1.00 MEN1 (0.35) MEN1GAAKMT2ANOS1NOS3
SCHEMBL6230762 1.00 MEN1 (0.35) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28058283 0.86 KMT2A (0.36) MEN1GAAKMT2ANOS1NOS3
SCHEMBL3809238 0.84 NOS1 (0.33) MEN1GAAKMT2ANOS1NOS3
SCHEMBL473544 0.84 NOS1 (0.33) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28086859 0.82 TDP1 (0.42) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28086861 0.82 TDP1 (0.42) MEN1GAAKMT2ANOS1NOS3
SCHEMBL3619677 0.80 CTSK (0.33) MEN1GAAKMT2ANOS1NOS3
SCHEMBL4537975 0.79 FOLH1 (0.40) MEN1GAAKMT2A
SCHEMBL9644345 0.79 NOS1 (0.32) MEN1GAAKMT2ANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN disclosed
CN-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed