SCHEMBL9687611

SCHEMBL9687611

C=CCCc1c(=O)[nH]c(C(=O)NCc2ccccc2OC)c(OC)[n+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
HDAC1 Q13547 1/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 6/20 0.41
RCE1 Q9Y256 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL9689043 0.74 HPGD (0.39) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL9687941 0.73 EZH2 (0.40) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL9688130 0.69 LMNA (0.43) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL9687391 0.68 HPGD (0.39) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL9687454 0.67 MEN1 (0.39) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL8765637 0.65 HPGD (0.61) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL34468877 0.64 HPGD (0.61) KMT2AMEN1HTTNPC1HDAC1
SCHEMBL8062343 0.64 TAAR1 (0.58) KMT2AALDH1A1GAAMAPT
SCHEMBL30136331 0.64 TAAR1 (0.58) KMT2AALDH1A1GAAMAPT
SCHEMBL6848785 0.64 HTT (0.83) KMT2AMEN1HTTNPC1HDAC1

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed