SCHEMBL25947102

SCHEMBL25947102

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
P4HB P07237 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
TLR2 O60603 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SPR P35270 1/20 0.33
BRD4 O60885 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
SCHEMBL25947681 1.00 RAD52 (0.36) RAD52P4HBMAPTCNR2KDM4E
SCHEMBL25939843 0.89 RAD52 (0.38) RAD52P4HBMAPTCNR2KDM4E
SCHEMBL25939727 0.89 RAD52 (0.38) RAD52P4HBMAPTCNR2KDM4E
SCHEMBL25949686 0.89 RAD52 (0.40) RAD52P4HBMAPTCNR2KDM4E
SCHEMBL25947312 0.86 KDM4E (0.39) P4HBMAPTKDM4ETSHRALOX5
SCHEMBL25948923 0.86 RAD52 (0.38) RAD52P4HBMAPTCNR2KDM4E
SCHEMBL25947682 0.85 TSHR (0.40) RAD52KDM4ETSHRALOX5MEN1
SCHEMBL25947113 0.85 TSHR (0.40) RAD52KDM4ETSHRALOX5MEN1
SCHEMBL25947680 0.84 MAPT (0.44) RAD52P4HBMAPTKDM4ETSHR
SCHEMBL25946423 0.84 ALOX5 (0.42) RAD52P4HBMAPTKDM4EALOX5

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