SCHEMBL21451963

SCHEMBL21451963

CNC(=O)CN1CCc2nc(C)sc2C1

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 6/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40

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
SCHEMBL21451962 0.85 RAD52 (0.46) RAD52RECQLGAAMAPTKMT2A
SCHEMBL16286089 0.83 RAD52 (0.48) RAD52RECQLGAAMAPTKMT2A
SCHEMBL21452366 0.83 ALDH1A1 (0.43) RAD52RECQLGAAMAPTKMT2A
SCHEMBL21451975 0.81 TLR9 (0.48) RAD52RECQLGAAMAPTKMT2A
SCHEMBL16286092 0.80 RAD52 (0.45) RAD52RECQLGAAMAPTKMT2A
SCHEMBL21451964 0.76 RAD52 (0.44) RAD52RECQLGAAMAPTKMT2A
SCHEMBL6369558 0.76 RAD52 (0.69) RAD52RECQLGAAMAPTKMT2A
SCHEMBL16286091 0.76 RAD52 (0.48) RAD52RECQLGAAMAPTKMT2A
SCHEMBL21451967 0.75 GRM5 (0.45) RAD52RECQLGAAMAPTKMT2A
SCHEMBL21452354 0.74 HDAC6 (0.42) RAD52RECQLGAAMAPTKMT2A

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