SCHEMBL25948797

SCHEMBL25948797

CCOC(=O)c1c(CNC=N)n(C)c2ccc(C3=CCCC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 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
SCHEMBL25949415 0.93 HDAC2 (0.39) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25938740 0.86 HDAC1 (0.41) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25949196 0.81 ALOX5 (0.41) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25949074 0.80 ALOX5 (0.46) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25948923 0.80 RAD52 (0.38) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25949377 0.80 RAD52 (0.48) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25938617 0.79 HDAC2 (0.41) ALOX5KDM4EKMT2AHDAC1HDAC2
SCHEMBL25951179 0.78 ALOX5 (0.46) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25949367 0.77 KDM4E (0.53) ALOX5KDM4ELMNAMEN1KMT2A
SCHEMBL25938880 0.77 HDAC2 (0.38) KDM4EKMT2AHDAC1HDAC2ALDH1A1

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