SCHEMBL9755054

SCHEMBL9755054

O=C(O)CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.61
GAA P10253 1/20 0.57
HCAR3 P49019 3/20 0.56
PKM P14618 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRSS1 P07477 3/20 0.52
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
NPC1 O15118 1/20 0.51
TRPA1 O75762 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL37830 0.99 MAPT (0.63) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL4295085 0.99 MAPT (0.63) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL29928397 0.99 MAPT (0.63) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL4301793 0.96 MAPT (0.70) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL7349997 0.90 MAPT (0.62) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL10932609 0.88 MAPT (0.63) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL17875231 0.87 MAPT (0.56) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL8147273 0.85 MAPT (0.65) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL27343040 0.85 MAPT (0.73) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL8536167 0.84 PRSS1 (0.56) MAPTKDM4EALDH1A1POLBHCAR3

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
WO-1991005605-A1 CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-05-02 WO disclosed