SCHEMBL25948907

SCHEMBL25948907

CCOC(=O)c1c(CNC)n(C)c2cc(-c3cccc4ccccc34)c(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
MAPT P10636 2/20 0.47
P4HB P07237 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 5/20 0.44
TSHR P16473 1/20 0.44
ALOX5 P09917 5/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SPR P35270 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL25949826 0.96 RAD52 (0.50) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25939725 0.89 RAD52 (0.45) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25946926 0.89 TSHR (0.47) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25946906 0.87 RAD52 (0.44) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25947857 0.85 RAD52 (0.47) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25938805 0.85 ALOX5 (0.43) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25947856 0.85 TSHR (0.49) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25949981 0.85 ALOX5 (0.49) RAD52ALDH1A1KMT2AALOX5MEN1
SCHEMBL25949845 0.84 PKM (0.45) RAD52MAPTP4HBALDH1A1KMT2A
SCHEMBL25947855 0.83 RAD52 (0.46) RAD52MAPTP4HBALDH1A1KMT2A

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