SCHEMBL6993376

SCHEMBL6993376

O=[N+]([O-])C1Oc2ccccc2OC1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38
DNMT3B Q9UBC3 6/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA2 P00918 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31711236 0.80 P2RY6 (0.41) P2RY6ALDH1A1LMNAHSD17B10DNMT3B
SCHEMBL3200612 0.80 P2RY6 (0.41) P2RY6ALDH1A1LMNAHSD17B10DNMT3B
SCHEMBL20520149 0.74 MAOB (0.40) ALDH1A1HSD17B10DNMT3BKDM4E
SCHEMBL15118063 0.72 P2RY6 (0.36) P2RY6ALDH1A1LMNADNMT3BNPC1
SCHEMBL3560156 0.70 NPC1 (0.47) ALDH1A1NPC1RAB9ACA2MEN1
SCHEMBL10710089 0.69 DNMT3B (0.43) HSD17B10DNMT3BKDM4EMEN1KMT2A
SCHEMBL28144298 0.69 HPGD (0.40) P2RY6HSD17B10NPC1RAB9ACA2
SCHEMBL10579345 0.69 P2RY6 (0.34) P2RY6ALDH1A1LMNADNMT3BNPC1
SCHEMBL1127867 0.69 MAOA (0.48) LMNAMEN1KMT2ANPSR1
SCHEMBL30876197 0.68 P2RY6 (0.43) P2RY6DNMT3BNPC1RAB9ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758334-B1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2003-02-05 EP disclosed
US-6090954-A 2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, 2,3-DICHLORO-2,3-DIFLUORO-6,7-DINITRO-(1,4)-BENZODIOXANE, AND 6,7-DIAMINO-2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, AND PREPARATION; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-5990316-A Substituted (1,4)dioxino(2,3-F) 6,7-Dichloro-6,7-difluoro-2-trichloromethyl-[1,4]-dioxino-[2,3-f]-benzim idazole and their use in pest control BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5792873-A PESTICIDES SYNTHESIS FROM NEW CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-11 US disclosed
US-5648316-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0758334-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AG (DE) 1997-02-19 EP disclosed
WO-1995029918-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1995-11-09 WO disclosed