SCHEMBL28029434

SCHEMBL28029434

CC(C)(C)OC(=O)N1CCO[C@@H](CCBr)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.44
EPHA2 P29317 4/20 0.41
NR1H2 P55055 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK1 Q15118 3/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ERBB2 P04626 1/20 0.38
EPHB4 P54760 1/20 0.38
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL1919855 1.00 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL28029440 1.00 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL5288704 0.89 USP2 (0.51) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL2444420 0.89 USP2 (0.51) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL5287268 0.89 USP2 (0.51) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL23877994 0.87 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL1655537 0.87 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL22168315 0.87 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL31040994 0.87 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL18689612 0.86 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2

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-104903310-A Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC 2015-09-09 CN disclosed