SCHEMBL8713400

SCHEMBL8713400

CC1([N+](=O)[O-])C=CC=C([N+](=O)[O-])C1(C)[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4912891 0.79
SCHEMBL10903989 0.79 MEN1 (0.32) LMNA
SCHEMBL10903213 0.73 ESPL1 (0.35) ALDH1A1LMNA
SCHEMBL27623082 0.70 KCNA4 (0.30)
SCHEMBL30681194 0.67
SCHEMBL31248137 0.64
Butane SCHEMBL27547118 0.63 TSHR (0.33) ALDH1A1
SCHEMBL34467249 0.61 KCNA4 (0.33)
SCHEMBL9319793 0.61
SCHEMBL3869809 0.59

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-5705698-A Process for the production of pendimethalin and iso-pendimethalin SRM CHEMICAL, LTD. CO. (US) 1998-01-06 US disclosed
US-4609759-A Process for preparing amino-2, 4-dinitroaromatic herbicides AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-09-02 US disclosed