SCHEMBL25948664

SCHEMBL25948664

CCOC(=O)c1c(CNC)n(C)c2cc(Br)ncc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.50
MAPT P10636 3/20 0.46
P4HB P07237 1/20 0.46
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
ALOX5 P09917 6/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SPR P35270 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL25941803 0.87 ALDH1A1 (0.46) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25941807 0.86 RAD52 (0.46) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25941805 0.86 TSHR (0.47) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25941801 0.83 ALDH1A1 (0.60) MAPTKMT2AALDH1A1TSHRHTT
SCHEMBL25948631 0.81 RAD52 (0.52) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25941804 0.81 RAD52 (0.41) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL13953916 0.81 RAD52 (0.70) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25948625 0.80 RAD52 (0.43) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25942151 0.79 RAD52 (0.52) RAD52MAPTP4HBKMT2AALDH1A1
SCHEMBL25948777 0.77 RAD52 (0.52) 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