SCHEMBL28017484

SCHEMBL28017484

CC(C)(C)C(=O)ON1CC(C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 2/20 0.42
SLC18A3 Q16572 2/20 0.39
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.38
CPB1 P15086 1/20 0.38
RIPK1 Q13546 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL3604589 0.87 KMT2A (0.54) MEN1KMT2ASLC18A3KCNH2ALDH1A1
SCHEMBL27689722 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPK1
SCHEMBL27751800 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPK1
SCHEMBL27770244 0.85 MGLL (0.40) MEN1KMT2AELANESLC18A3MAPK1
SCHEMBL27597017 0.85 ELANE (0.46) MEN1KMT2AELANEMGLL
SCHEMBL2882463 0.76 KDM4E (0.51) MEN1KMT2A
SCHEMBL28265092 0.75 ALDH1A1 (0.38) ELANEALDH1A1MAPK1RIPK1
SCHEMBL27488566 0.74 RIPK1 (0.51) SLC18A3KCNH2ALDH1A1RIPK1
SCHEMBL28803045 0.73 RIPK1 (0.39) MEN1KMT2ARIPK1
SCHEMBL27890346 0.73

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-104781238-A Pyrazole carboxamide compounds, compositions and methods of use HOFFMANN LA ROCHE 2015-07-15 CN disclosed