SCHEMBL25949367

SCHEMBL25949367

CCOC(=O)c1c(CNC=N)n(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
ALOX5 P09917 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47

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
SCHEMBL25949404 0.86 KDM4E (0.45) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25948641 0.85 KDM4E (0.57) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25942228 0.84 RAD52 (0.48) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25949377 0.84 RAD52 (0.48) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25949213 0.84 ALOX5 (0.41) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25948583 0.84 ALOX5 (0.41) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25949074 0.83 ALOX5 (0.46) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25948837 0.83 PKM (0.42) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL25938557 0.82 KDM4E (0.52) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL5240303 0.82 KDM4E (0.63) KDM4EALDH1A1ALOX5MEN1KMT2A

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