SCHEMBL25948717

SCHEMBL25948717

CCOC(=O)c1c(CNC)n(C)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
ALOX5 P09917 10/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGES O14684 1/20 0.48
ALOX15 P16050 1/20 0.46
SPR P35270 1/20 0.46
POLB P06746 1/20 0.45
F2RL3 Q96RI0 1/20 0.45
RAD52 P43351 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL25949923 0.90 ALOX5 (0.49) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25938650 0.86 SMN1; SMN2 (0.52) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25941962 0.86 ALOX5 (0.59) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25941965 0.86 KDM4E (0.58) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25949981 0.86 ALOX5 (0.49) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25948641 0.85 KDM4E (0.57) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25941961 0.83 KDM4E (0.63) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25941963 0.81 KDM4E (0.53) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25949292 0.80 ALOX5 (0.43) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL25949404 0.79 KDM4E (0.45) KDM4ELMNASMN1; SMN2ALDH1A1GAA

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