SCHEMBL9688966

SCHEMBL9688966

COc1c(C(=O)NC2CC2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL9026198 0.76 LMNA (0.39) NPC1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL9687941 0.75 EZH2 (0.40) NPC1SMN1; SMN2HPGD
SCHEMBL9687454 0.74 MEN1 (0.39) ALDH1A1
SCHEMBL9687391 0.69 HPGD (0.39) NPC1SMN1; SMN2GAAHPGDTSHR
SCHEMBL9160957 0.61 SMN1; SMN2 (0.33) SMN1; SMN2TSHR
SCHEMBL8252004 0.57 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15684258 0.56 RAB9A (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL16535922 0.56 LIPG (0.60) LIPG
SCHEMBL16535923 0.56 LIPG (0.60) LIPG
SCHEMBL16543210 0.54 LIPG (0.64) LIPGNPC1RAB9ASMN1; SMN2

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