SCHEMBL11201808

SCHEMBL11201808

CCCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
ALDH1A1 P00352 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
GAA P10253 5/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 6/20 0.54
CYP3A4 P08684 3/20 0.54
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.52
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPY1R P25929 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
SCHEMBL11574765 0.90 KMT2A (0.59) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL6544560 0.87 MAPT (0.64) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL469532 0.86 MEN1 (0.55) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL469603 0.84 MEN1 (0.56) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL7198388 0.83 MAPK1 (0.55) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL989741 0.82 MAPT (0.70) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL11082469 0.81 MAPT (0.53) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL20472324 0.81 MAPT (0.61) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL20472259 0.81 MEN1 (0.48) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL469615 0.81 MEN1 (0.59) MAPTALDH1A1TDP1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31226-E HERBICIDES ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-RE31227-E HERBICIDES ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4077795-A 2,4-DINITROANILINE DERIVATIVES UNION CARBIDE CORPORATION (US) 1978-03-07 US disclosed