SCHEMBL25947855

SCHEMBL25947855

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
MAPT P10636 3/20 0.44
P4HB P07237 1/20 0.44
KMT2A Q03164 5/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
ALOX5 P09917 4/20 0.40
PKM P14618 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
SPR P35270 1/20 0.39

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
SCHEMBL25946906 0.97 RAD52 (0.44) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25947799 0.90 ALOX5 (0.42) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25946423 0.88 ALOX5 (0.42) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947857 0.87 RAD52 (0.47) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25949826 0.87 RAD52 (0.50) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25943902 0.86 ALOX5 (0.44) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25947740 0.86 PKM (0.38) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25947210 0.85 KDM4E (0.38) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25948907 0.83 RAD52 (0.48) RAD52MAPTP4HBKMT2ATSHR
SCHEMBL25947856 0.83 TSHR (0.49) RAD52MAPTP4HBKMT2ATSHR

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