SCHEMBL25938650

SCHEMBL25938650

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ALOX5 P09917 10/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.43
SPR P35270 1/20 0.42
RAD52 P43351 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL25938616 0.92 KDM4E (0.44) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25949080 0.91 ALOX5 (0.46) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25939053 0.88 ALOX5 (0.46) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25948717 0.86 KDM4E (0.56) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25938557 0.86 KDM4E (0.52) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25938555 0.85 RAD52 (0.48) SMN1; SMN2KDM4ELMNAALDH1A1HPGD
SCHEMBL25941965 0.84 KDM4E (0.58) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25938811 0.83 PKM (0.41) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25938740 0.83 HDAC1 (0.41) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL25941962 0.82 ALOX5 (0.59) SMN1; SMN2KDM4ELMNAALDH1A1GAA

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