SCHEMBL9687941

SCHEMBL9687941

COc1cccc(OC)c1CNC(=O)c1[nH]c(=O)c(CC(C)C)[n+]([O-])c1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
ADRB2 P07550 1/20 0.34
HPGD P15428 2/20 0.34
MMP13 P45452 1/20 0.34
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9687454 0.83 MEN1 (0.39) EZH2MEN1KMT2AHTTKDM4E
SCHEMBL9687392 0.83 CYP1A2 (0.46) MEN1KMT2ASMN1; SMN2HPGDHDAC1
SCHEMBL9689043 0.82 HPGD (0.39) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9688033 0.81 HTT (0.49) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9688037 0.79 TSHR (0.49) KMT2ASMN1; SMN2KDM4E
SCHEMBL9280239 0.79 RXFP1 (0.45) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9687391 0.78 HPGD (0.39) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9278822 0.75 RAB9A (0.46) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9687611 0.73 KMT2A (0.48) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL9164617 0.71 NPC1 (0.51) MEN1KMT2ANPC1SMN1; 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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed