SCHEMBL21451981

SCHEMBL21451981

COP(=O)(CN1CCc2nc(C)sc2C1)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 3/20 0.37
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 5/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL21452349 0.87 RAD52 (0.41) RAD52RECQLGAAPDE10AGRM5
SCHEMBL22966552 0.83 RAD52 (0.40) RAD52RECQLGAAGRM5HRH3
SCHEMBL22966538 0.83 RAD52 (0.40) RAD52RECQLGAAGRM5HRH3
SCHEMBL17934008 0.79 HRH3 (0.46) RAD52RECQLGAAPDE10AGRM5
SCHEMBL6369558 0.76 RAD52 (0.69) RAD52RECQLGAAPDE10AGRM5
SCHEMBL12680942 0.74 RAD52 (0.53) RAD52RECQLGAAPDE10AGRM5
SCHEMBL21451962 0.73 RAD52 (0.46) RAD52RECQLGAAPDE10AGRM5
SCHEMBL16286091 0.73 RAD52 (0.48) RAD52RECQLGAAPDE10AGRM5
SCHEMBL17088067 0.73 RAD52 (0.48) RAD52RECQLGAAPDE10AGRM5
SCHEMBL16286089 0.72 RAD52 (0.48) RAD52RECQLGAAPDE10AGRM5

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
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed