SCHEMBL11082077

SCHEMBL11082077

COc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.52
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
EPAS1 Q99814 2/20 0.42
VEGFA P15692 1/20 0.41
MCL1 Q07820 1/20 0.39
TPMT P51580 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 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
SCHEMBL2054426 0.81 TSHR (0.58) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL29659699 0.81 TSHR (0.58) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11600925 0.80 KIF11 (0.59) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11599104 0.80 KIF11 (0.61) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11599131 0.80 KIF11 (0.48) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11601182 0.80 KIF11 (0.62) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL29505103 0.79 TSHR (0.42) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11600890 0.79 KIF11 (0.60) KIF11TSHRALDH1A1TDP1CYP3A4
SCHEMBL11601372 0.78 KIF11 (0.54) KIF11TSHRALDH1A1TDP1EPAS1
SCHEMBL10063513 0.77 ALDH1A1 (0.49) KIF11TSHRALDH1A1TDP1CYP3A4

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
EP-0031257-B1 PYRIDYLANILINES ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-15 EP disclosed
US-4331670-A PESTICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 1982-05-25 US disclosed
EP-0031257-A2 Pyridylanilines ISHIHARA SANGYO KAISHA LTD. (JP) 1981-07-01 EP disclosed