SCHEMBL25949099

SCHEMBL25949099

CCOC(=O)c1c(CNC)n(C)c2cc(-c3ccnc4ccccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
ACVR1 Q04771 3/20 0.41
ALOX5 P09917 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
CREBBP Q92793 1/20 0.40
P4HB P07237 1/20 0.39
MAPT P10636 1/20 0.39
SPR P35270 1/20 0.38
POLB P06746 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL25939026 0.89 RAD52 (0.41) RAD52ACVR1ALOX5MEN1KMT2A
SCHEMBL25943587 0.87 AAK1 (0.40) RAD52ACVR1ALOX5MEN1KMT2A
SCHEMBL25948503 0.87 ALOX5 (0.43) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25938805 0.86 ALOX5 (0.43) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25949115 0.83 RAD52 (0.41) RAD52ACVR1ALOX5MEN1KMT2A
SCHEMBL25949373 0.83 ALOX5 (0.46) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25944053 0.83 RAD52 (0.43) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25948515 0.83 CYP11B1 (0.46) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25949382 0.82 KDM4E (0.42) RAD52ALOX5MEN1KMT2APKM
SCHEMBL25949292 0.81 ALOX5 (0.43) RAD52ALOX5MEN1KMT2APKM

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