SCHEMBL11465754

SCHEMBL11465754

Nc1ccn(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HPN P05981 1/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SCN2A Q99250 1/20 0.47

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
SCHEMBL29218271 0.85 KEAP1 (0.50) KEAP1NFE2L2HPNALDH1A1LMNA
SCHEMBL30923148 0.82 HTT (0.68) KEAP1NFE2L2HPNALDH1A1RAB9A
SCHEMBL20501067 0.82 HTT (0.68) KEAP1NFE2L2HPNALDH1A1RAB9A
SCHEMBL9769314 0.81 HTT (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL16062208 0.78 TP53 (0.49) KEAP1NFE2L2HPNALDH1A1RAB9A
SCHEMBL28287787 0.78 HPN (0.49) KEAP1NFE2L2HPNALDH1A1LMNA
SCHEMBL19657952 0.78 KEAP1 (0.56) KEAP1NFE2L2ALDH1A1RAB9ANPC1
SCHEMBL5958372 0.76 NOTUM (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3929733 0.75 GRM5 (0.58) KEAP1NFE2L2HPNALDH1A1RAB9A
SCHEMBL2643542 0.75 KEAP1 (0.52) KEAP1NFE2L2HPNALDH1A1RAB9A

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-0011295-A1 Yellow monoazo dyes of the 2-hydroxydibenzofuran series; their preparation and use for dyeing and printing synthetic hydrophobic fibres Montedison S.p.A. (IT) 1980-05-28 EP disclosed