SCHEMBL25939846

SCHEMBL25939846

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
RAD52 P43351 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 1/20 0.39
P4HB P07237 1/20 0.39
SPR P35270 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 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
SCHEMBL25939681 0.96 ALOX5 (0.43) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25947857 0.90 RAD52 (0.47) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25939768 0.89 MAPT (0.46) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25939725 0.88 RAD52 (0.45) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25947799 0.87 ALOX5 (0.42) ALOX5RAD52MAPTKMT2AMEN1
SCHEMBL25946351 0.87 MAPT (0.47) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25939889 0.86 PKM (0.41) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25939053 0.86 ALOX5 (0.46) ALOX5RAD52KMT2AMEN1KDM4E
SCHEMBL25938810 0.86 ALOX5 (0.40) ALOX5RAD52MAPTKMT2APKM
SCHEMBL25939765 0.85 KDM4E (0.39) ALOX5RAD52MAPTKMT2APKM

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