SCHEMBL17928435

SCHEMBL17928435

C=C(O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 5/20 0.32
DAO P14920 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NOS1 P29475 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
MAOB P27338 1/20 0.31
CASP6 P55212 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYTH3 O43739 1/20 0.30
BTK Q06187 1/20 0.30
EPN1 Q9Y6I3 1/20 0.30

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
SCHEMBL26820 0.83 HPGD (0.54) HPGDHCAR2DAOCYTH3BTK
Hydrochloric Acid SCHEMBL27727584 0.81 HPGD (0.52) HPGDHCAR2DAOCYTH3BTK
SCHEMBL42514 0.78 HPGD (0.52) HPGDMAPTLMNAKMT2AHCAR2
SCHEMBL5013388 0.78 HPGD (0.52) HPGDMAPTLMNAHCAR2DAO
SCHEMBL14620257 0.74 HPGD (0.49) HPGDMAPTHCAR2DAODYRK1A
SCHEMBL6305513 0.74 HPGD (0.49) HPGDLMNAMEN1KMT2AHCAR2
SCHEMBL18680106 0.74 HPGD (0.49) HPGDMAPTLMNAMEN1KMT2A
SCHEMBL25449 0.74 MAPK1 (0.57) HPGDMAPTMEN1KMT2AHCAR2
SCHEMBL4755850 0.73 MAPK1 (0.51) HPGDMEN1KMT2AHCAR2DAO
SCHEMBL9934565 0.72

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-2108644-B1 N-(Methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2016-07-20 EP disclosed