SCHEMBL11266241

SCHEMBL11266241

CC(C)(C)c1nn(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PPOX P50336 11/20 0.52
NR1I2 O75469 1/20 0.52
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABHD16A O95870 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9382271 0.90 PPOX (0.52) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL11255582 0.85 PPOX (0.45) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL9638953 0.82 MEN1 (0.62) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL11545287 0.81 MEN1 (0.47) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL7046263 0.81 ABHD16A (0.63) MEN1KMT2AMAPTGAAHSD17B10
SCHEMBL11272220 0.80 MEN1 (0.60) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL11505896 0.79 MAPT (0.42) MEN1KMT2AMAPTGAAHSD17B10
SCHEMBL11848214 0.77 MEN1 (0.72) MEN1KMT2ATDP1PPOXNR1I2
SCHEMBL11869836 0.75 MAPT (0.39) MEN1KMT2AMAPTGAAHSD17B10
SCHEMBL14505697 0.75 PPOX (0.67) MEN1KMT2ATDP1PPOXNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003619-B1 HETEROCYCLIC-SUBSTITUTED ANILIDE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND A METHOD OF CONTROLLING UNDESIRED PLANT GROWTH USING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-05-05 EP disclosed
US-4174958-A Anilide derivative herbicides SHELL OIL COMPANY (US) 1979-11-20 US disclosed
EP-0003619-A2 Heterocyclic-substituted anilide derivatives, a process for their preparation, herbicidal compositions containing them and a method of controlling undesired plant growth using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-22 EP disclosed
US-3992395-A Process for the preparation of chlorinated phenylhydroxylamines RHONE-POULENC S.A. (FR) 1976-11-16 US disclosed