SCHEMBL22814545

SCHEMBL22814545

CC(C)(C)OC(=O)N1CCC2(CCCS2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 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
SCHEMBL15769706 0.83 USP2 (0.51) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL15426237 0.79 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL14881271 0.77 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL20937613 0.75 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL933177 0.75 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL346995 0.74 USP2 (0.56) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL3436829 0.74 USP2 (0.56) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL24906944 0.74 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL25055562 0.74 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX1EPHX2
SCHEMBL20937760 0.73 USP2 (0.51) USP2SMN1; SMN2HPGDEPHX1EPHX2

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
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed