SCHEMBL21451978

SCHEMBL21451978

Cc1nc2c(s1)CN(CCNC(N)=S)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
RECQL P46063 1/20 0.43
GRM5 P41594 4/20 0.38
HDAC6 Q9UBN7 8/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HDAC3 O15379 6/20 0.36
HDAC1 Q13547 6/20 0.36
GAA P10253 2/20 0.35
PDE10A Q9Y233 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL21451964 0.89 RAD52 (0.44) RAD52RECQLGRM5HDAC6HDAC3
SCHEMBL22966524 0.84 RAD52 (0.40) RAD52RECQLGRM5HDAC6HRH3
SCHEMBL21452354 0.81 HDAC6 (0.42) RAD52RECQLGRM5HDAC6HRH3
SCHEMBL16286091 0.78 RAD52 (0.48) RAD52RECQLGRM5HDAC6HRH3
SCHEMBL12680942 0.77 RAD52 (0.53) RAD52RECQLGRM5HRH3GAA
SCHEMBL16286089 0.75 RAD52 (0.48) RAD52RECQLGRM5GAAPDE10A
SCHEMBL17383827 0.75 RAD52 (0.48) RAD52RECQLGRM5HDAC6HRH3
SCHEMBL6369558 0.73 RAD52 (0.69) RAD52RECQLGRM5HRH3GAA
SCHEMBL17934008 0.73 HRH3 (0.46) RAD52RECQLGRM5HDAC6HRH3
SCHEMBL22966522 0.73 GAA (0.41) RAD52RECQLGRM5HDAC6HDAC3

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