SCHEMBL16654033

SCHEMBL16654033

CC(C)(C)OC(=O)N[C@@]1(C)CNC[C@@H](N)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL29049022 0.83 MEN1 (0.43) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL25126862 0.83 MEN1 (0.43) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL23562282 0.83 MEN1 (0.43) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL3315842 0.80 MEN1 (0.41) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL20811244 0.79 MEN1 (0.40) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL20799596 0.79 MEN1 (0.40) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL20799595 0.79 MEN1 (0.40) MEN1MAPK1KMT2AGAAEPHX2
Hydrochloric Acid SCHEMBL20296787 0.78 MEN1 (0.41) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL31118700 0.78 KMT2A (0.42) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL31118811 0.78 KMT2A (0.42) MEN1MAPK1KMT2AGAAEPHX2

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-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO disclosed