SCHEMBL25947680

SCHEMBL25947680

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
P4HB P07237 1/20 0.44
RAD52 P43351 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 5/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SPR P35270 1/20 0.38
PKM P14618 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALOX5 P09917 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ALOX15 P16050 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
SCHEMBL25947681 0.84 RAD52 (0.36) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25947102 0.84 RAD52 (0.36) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25946923 0.83 RAD52 (0.47) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25947110 0.81 RAD52 (0.49) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25947608 0.81 TSHR (0.46) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25947111 0.80 MAPT (0.43) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25947897 0.80 RAD52 (0.45) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25946906 0.80 RAD52 (0.44) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25946422 0.80 RAD52 (0.49) MAPTP4HBRAD52TSHRKMT2A
SCHEMBL25948041 0.79 PTPN2 (0.33) TSHR

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