SCHEMBL25939727

SCHEMBL25939727

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3cccc4ccccc34)c(C3=CCCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
MAPT P10636 2/20 0.37
P4HB P07237 1/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GRM2 Q14416 1/20 0.35
ALOX5 P09917 3/20 0.35
MEN1 O00255 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
TLR2 O60603 4/20 0.35
SPR P35270 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL25939843 1.00 RAD52 (0.38) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25949686 0.91 RAD52 (0.40) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25948923 0.89 RAD52 (0.38) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25947682 0.89 TSHR (0.40) RAD52TSHRKMT2AALOX5MEN1
SCHEMBL25947113 0.89 TSHR (0.40) RAD52TSHRKMT2AALOX5MEN1
SCHEMBL25947102 0.89 RAD52 (0.36) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25947681 0.89 RAD52 (0.36) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25939725 0.84 RAD52 (0.45) RAD52MAPTP4HBTSHRKMT2A
SCHEMBL25939681 0.84 ALOX5 (0.43) RAD52MAPTP4HBKMT2APKM
SCHEMBL25947857 0.84 RAD52 (0.47) RAD52MAPTP4HBTSHRKMT2A

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed