SCHEMBL26977516

SCHEMBL26977516

Cn1c(=O)[nH]c2cc(C=NO)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 6/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
DAO P14920 2/20 0.40
GAA P10253 3/20 0.39
DYRK1A Q13627 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PGR P06401 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Cyanide SCHEMBL25406844 0.81 LMNA (0.44) LMNAMAOBMAPTKDM4EHTT
SCHEMBL15652066 0.81 LMNA (0.53) LMNAMAOBMAPTDAODYRK1A
SCHEMBL10138689 0.74 LMNA (0.53) LMNAMAOBMAPTDAODYRK1A
SCHEMBL25318060 0.74 LMNA (0.56) LMNAMAOBMAPTKDM4EDAO
SCHEMBL3263393 0.72 DAO (0.66) LMNAMAOBMAPTDAOTP53
SCHEMBL3066593 0.70 LMNA (0.57) LMNAMAOBMAPTDAOPGR
SCHEMBL25041248 0.70 KDM4E (0.43) MAPTKDM4EPKMGAAALDH1A1
SCHEMBL1639030 0.70 LMNA (0.56) LMNAMAOBMAPTKDM4EDAO
SCHEMBL31053821 0.70 LMNA (0.56) LMNAMAOBMAPTDAOTP53
SCHEMBL31192592 0.70 DAO (0.64) LMNAMAOBMAPTKDM4EDAO

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-4021904-B1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-03 EP disclosed