SCHEMBL25947110

SCHEMBL25947110

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
MAPT P10636 3/20 0.48
P4HB P07237 1/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
PKM P14618 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SPR P35270 1/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
ALOX5 P09917 5/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL25946923 0.96 RAD52 (0.47) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25946422 0.88 RAD52 (0.49) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947208 0.85 RAD52 (0.47) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25943586 0.84 RAD52 (0.46) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25943901 0.84 RAD52 (0.46) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947897 0.83 RAD52 (0.45) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947075 0.82 TSHR (0.50) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947855 0.81 RAD52 (0.46) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947680 0.81 MAPT (0.44) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25947608 0.80 TSHR (0.46) RAD52MAPTP4HBKMT2AALDH1A1

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