SCHEMBL11528778

SCHEMBL11528778

CCCCNc1c([N+](=O)[O-])cc(C)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
TDP1 Q9NUW8 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.52
HCAR3 P49019 2/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
RIPK1 Q13546 2/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL11440334 0.96 MAPT (0.56) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL6901942 0.84 MAPT (0.67) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11522596 0.83 MAPT (0.65) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL572409 0.80 MAPT (0.61) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11524157 0.80 MAPT (0.60) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11432496 0.79 MAPT (0.59) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11869694 0.79 MAPT (0.59) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11440333 0.78 ALDH1A1 (0.45) MAPTTDP1L3MBTL1ALDH1A1HCAR3
SCHEMBL11528773 0.77 ALDH1A1 (0.60) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL9501892 0.76 MAPT (1.00) MAPTTDP1L3MBTL1ALDH1A1GAA

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
US-4136117-A PREPARATION OF 2,6-DINITROANILINES AMERICAN CYANAMID COMPANY (US) 1979-01-23 US disclosed