SCHEMBL25949080

SCHEMBL25949080

CCOC(=O)c1c(CNC(=N)N)n(C)c2ccc(-c3ccc4ccccc4c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL25938811 0.93 PKM (0.41) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25938650 0.91 SMN1; SMN2 (0.52) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25939053 0.89 ALOX5 (0.46) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25949923 0.87 ALOX5 (0.49) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25949074 0.86 ALOX5 (0.46) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25943538 0.85 ALOX5 (0.51) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25938557 0.84 KDM4E (0.52) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25938616 0.83 KDM4E (0.44) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25939178 0.83 ALOX5 (0.40) ALOX5KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25938555 0.82 RAD52 (0.48) ALOX5KMT2AMEN1SMN1; SMN2KDM4E

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