SCHEMBL9688033

SCHEMBL9688033

COc1c(C(=O)NCc2cccnc2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9687941 0.81 EZH2 (0.40) HTTHPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL9687454 0.80 MEN1 (0.39) HTTRECQLALDH1A1KMT2AKDM4E
SCHEMBL9687392 0.80 CYP1A2 (0.46) GAANPSR1ALDH1A1HPGDPOLB
SCHEMBL9688037 0.78 TSHR (0.49) ALDH1A1POLBSMN1; SMN2TSHRLMNA
SCHEMBL9687391 0.73 HPGD (0.39) HTTGAANPSR1ALDH1A1HPGD
SCHEMBL13988483 0.65 GAA (0.65) HTTGAAL3MBTL1NPSR1ALDH1A1
SCHEMBL8326064 0.65 GAA (1.00) HTTGAARECQLL3MBTL1NPSR1
SCHEMBL13955307 0.65 RECQL (0.66) HTTGAARECQLL3MBTL1NPSR1
SCHEMBL13774773 0.64 L3MBTL1 (0.73) HTTGAARECQLL3MBTL1ALDH1A1
SCHEMBL10311689 0.64 PKM (0.73) HTTRECQLL3MBTL1NPSR1ALDH1A1

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