SCHEMBL28052665

SCHEMBL28052665

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)O)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA2 P54646 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
FAAH O00519 2/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL1018777 0.93 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL12955106 0.89 PRKAB2 (0.55) MAPK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1019721 0.89 HIF1A (0.53) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL12954825 0.88 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL1017900 0.87 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL1019433 0.86 LMNA (0.46) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL1020459 0.86 PRKAB2 (0.47) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL1021758 0.86 PRKAB2 (0.53) MEN1KMT2AMAPK1PRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL1018850 0.86 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12954974 0.85 DRD2 (0.47) KMT2AFAAHSIGMAR1MGLL

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-101848899-B As the N-benzyl of LXR conditioning agent, N '-aryl carbonyl bridged piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2016-03-02 CN disclosed