SCHEMBL6901942

SCHEMBL6901942

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.57
HCAR3 P49019 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
RIPK1 Q13546 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KAT2B Q92831 2/20 0.38

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
SCHEMBL572409 0.96 MAPT (0.61) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11432496 0.94 MAPT (0.59) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11526837 0.91 MAPT (0.54) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11522596 0.87 MAPT (0.65) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11525935 0.86 MAPT (0.49) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11514511 0.85 MAPT (0.45) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11528778 0.84 MAPT (0.60) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11524157 0.84 MAPT (0.60) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11869694 0.83 MAPT (0.59) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL11440633 0.82 MAPT (0.58) MAPTL3MBTL1TDP1ALDH1A1GAA

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 10 patents. 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 claimed
JP-2004315671-A METHOD FOR MANUFACTURING STYRENE RESIN PARTICLE, AND METHOD FOR MANUFACTURING EXPANDABLE STYRENE RESIN PARTICLE KANEGAFUCHI CHEM IND CO LTD 2004-11-11 JP disclosed
US-4297127-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4251264-A 4-CYANO SUBSTITUTED AMERICAN CYANAMID COMPANY (US) 1981-02-17 US disclosed
US-4166908-A SELECTIVE PREEMERGENT ACTIVITY AMERICAN CYANAMID COMPANY (US) 1979-09-04 US disclosed
US-4165231-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1979-08-21 US disclosed
US-4136117-A PREPARATION OF 2,6-DINITROANILINES AMERICAN CYANAMID COMPANY (US) 1979-01-23 US disclosed
US-4124639-A N-alkoxyalkyl-2,6-dinitroaniline herbicides AMERICA CYANAMID COMPANY (US) 1978-11-07 US disclosed
US-4101582-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1978-07-18 US disclosed
US-4025538-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1977-05-24 US disclosed