SCHEMBL25947857

SCHEMBL25947857

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 4/20 0.47
GPR55 Q9Y2T6 2/20 0.47
PKM P14618 1/20 0.47
P4HB P07237 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
ALOX5 P09917 3/20 0.41
LMNA P02545 1/20 0.41
SPR P35270 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

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
SCHEMBL25939725 0.96 RAD52 (0.45) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939846 0.90 ALOX5 (0.43) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25949826 0.89 RAD52 (0.50) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939768 0.89 MAPT (0.46) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939681 0.88 ALOX5 (0.43) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25947855 0.87 RAD52 (0.46) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25947856 0.87 TSHR (0.49) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25946351 0.87 MAPT (0.47) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25939889 0.86 PKM (0.41) RAD52KMT2AMAPTGPR55PKM
SCHEMBL25938810 0.86 ALOX5 (0.40) 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