SCHEMBL25948923

SCHEMBL25948923

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
P4HB P07237 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
ALOX5 P09917 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
SPR P35270 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TLR2 O60603 2/20 0.33
HTT P42858 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
SCHEMBL25949686 0.91 RAD52 (0.40) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25939727 0.89 RAD52 (0.38) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25939843 0.89 RAD52 (0.38) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25947682 0.87 TSHR (0.40) RAD52TSHRALOX5KMT2AMEN1
SCHEMBL25947113 0.87 TSHR (0.40) RAD52TSHRALOX5KMT2AMEN1
SCHEMBL25947102 0.86 RAD52 (0.36) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25947681 0.86 RAD52 (0.36) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25939712 0.83 TSHR (0.39) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25948949 0.83 CASP3 (0.39) RAD52P4HBMAPTTSHRALOX5
SCHEMBL25948797 0.80 ALOX5 (0.40) RAD52ALOX5KMT2AMEN1KDM4E

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