SCHEMBL25946351

SCHEMBL25946351

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
P4HB P07237 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 6/20 0.45
TSHR P16473 1/20 0.45
ALOX5 P09917 4/20 0.43
HTT P42858 1/20 0.43
GPR55 Q9Y2T6 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.42
SPR P35270 2/20 0.42
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
PTGES O14684 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL25939768 0.97 MAPT (0.46) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25939725 0.89 RAD52 (0.45) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25939681 0.89 ALOX5 (0.43) MAPTP4HBALDH1A1KMT2AALOX5
SCHEMBL25939726 0.88 TSHR (0.39) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25946350 0.87 TSHR (0.51) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25947857 0.87 RAD52 (0.47) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25939846 0.87 ALOX5 (0.43) MAPTP4HBALDH1A1KMT2AALOX5
SCHEMBL25939765 0.86 KDM4E (0.39) MAPTP4HBALDH1A1KMT2ATSHR
SCHEMBL25939053 0.85 ALOX5 (0.46) ALDH1A1KMT2AALOX5LMNARAD52
SCHEMBL25938810 0.85 ALOX5 (0.40) MAPTP4HBALDH1A1KMT2AALOX5

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