SCHEMBL25939178

SCHEMBL25939178

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3c4ccccc4cc4ccccc34)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL25938810 0.89 ALOX5 (0.40) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25938811 0.89 PKM (0.41) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939337 0.89 ALOX5 (0.39) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939294 0.89 KDM4E (0.39) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939393 0.88 PKM (0.42) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25949292 0.88 ALOX5 (0.43) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25938616 0.88 KDM4E (0.44) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25948583 0.86 ALOX5 (0.41) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25939087 0.85 ALOX5 (0.40) ALOX5KMT2APKMMEN1KDM4E
SCHEMBL25938557 0.84 KDM4E (0.52) ALOX5KMT2AMEN1KDM4EALDH1A1

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