SCHEMBL25949115

SCHEMBL25949115

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3cccc4ncccc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
ACVR1 Q04771 3/20 0.40
ERN1 O75460 2/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CREBBP Q92793 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ALOX5 P09917 3/20 0.36
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
P4HB P07237 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25948618 0.89 ALOX5 (0.42) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25939030 0.87 RAD52 (0.40) RAD52ACVR1ERN1IDO1KDM4E
SCHEMBL25948646 0.87 ALOX5 (0.44) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25949213 0.85 ALOX5 (0.41) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25948561 0.85 RAD52 (0.43) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25949314 0.84 KDM4E (0.42) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25949402 0.84 KDM4E (0.41) RAD52KDM4EALDH1A1ALOX5ELANE
SCHEMBL25949271 0.83 PKM (0.46) RAD52KDM4EALDH1A1ALOX5MEN1
SCHEMBL25949099 0.83 RAD52 (0.43) RAD52ACVR1KDM4EALDH1A1CREBBP
SCHEMBL25949404 0.82 KDM4E (0.45) RAD52KDM4EALDH1A1ALOX5MEN1

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