SCHEMBL11525935

SCHEMBL11525935

Cc1cc([N+](=O)[O-])c(NCCCCCl)c([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.42
CYP1A2 P05177 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 1/20 0.37
KAT2B Q92831 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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 0.88 MAPT (0.61) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11432496 0.86 MAPT (0.59) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL6901942 0.86 MAPT (0.67) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11526837 0.83 MAPT (0.54) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11514511 0.80 MAPT (0.45) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL9799926 0.80 ALDH1A1 (0.49) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11869694 0.78 MAPT (0.59) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11440633 0.77 MAPT (0.58) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11522596 0.77 MAPT (0.65) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL7558393 0.75 HCAR3 (0.42) MAPTTDP1L3MBTL1ALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165231-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1979-08-21 US claimed
US-4101582-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1978-07-18 US claimed