SCHEMBL25947799

SCHEMBL25947799

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.42
RAD52 P43351 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P4HB P07237 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SPR P35270 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
KDM4A O75164 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL25946423 0.97 ALOX5 (0.42) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25947855 0.90 RAD52 (0.46) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25946906 0.88 RAD52 (0.44) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25939846 0.87 ALOX5 (0.43) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25943902 0.86 ALOX5 (0.44) ALOX5RAD52MEN1KMT2AKDM4E
SCHEMBL25947740 0.86 PKM (0.38) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25947210 0.85 KDM4E (0.38) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25947681 0.84 RAD52 (0.36) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25947313 0.84 CASP3 (0.38) ALOX5RAD52MEN1KMT2AP4HB
SCHEMBL25939681 0.84 ALOX5 (0.43) ALOX5RAD52MEN1KMT2AP4HB

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