SCHEMBL25939725

SCHEMBL25939725

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 3/20 0.45
GPR55 Q9Y2T6 2/20 0.45
PKM P14618 1/20 0.45
P4HB P07237 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 5/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
SPR P35270 2/20 0.39
LMNA P02545 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
SCHEMBL25947857 0.96 RAD52 (0.47) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939681 0.90 ALOX5 (0.43) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25948907 0.89 RAD52 (0.48) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25946351 0.89 MAPT (0.47) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939846 0.88 ALOX5 (0.43) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25946906 0.87 RAD52 (0.44) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25946926 0.87 TSHR (0.47) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939768 0.87 MAPT (0.46) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939053 0.86 ALOX5 (0.46) RAD52KMT2AALDH1A1ALOX5MEN1
SCHEMBL25949826 0.85 RAD52 (0.50) RAD52KMT2AMAPTGPR55PKM

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