SCHEMBL25939768

SCHEMBL25939768

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
P4HB P07237 1/20 0.46
ALOX5 P09917 6/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SPR P35270 2/20 0.40
LMNA P02545 2/20 0.40
RAD52 P43351 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25946351 0.97 MAPT (0.47) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25947857 0.89 RAD52 (0.47) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25939846 0.89 ALOX5 (0.43) MAPTP4HBALOX5KMT2AALDH1A1
SCHEMBL25939770 0.88 TSHR (0.37) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25947457 0.87 TSHR (0.48) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25939725 0.87 RAD52 (0.45) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25939681 0.87 ALOX5 (0.43) MAPTP4HBALOX5KMT2AALDH1A1
SCHEMBL25939889 0.86 PKM (0.41) MAPTP4HBALOX5KMT2ATSHR
SCHEMBL25939053 0.85 ALOX5 (0.46) ALOX5KMT2AALDH1A1LMNARAD52
SCHEMBL25938810 0.85 ALOX5 (0.40) MAPTP4HBALOX5KMT2AALDH1A1

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