SCHEMBL7713481

SCHEMBL7713481

N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
VCAM1 P19320 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.41
AR P10275 3/20 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
SCHEMBL4911079 0.84 HTT (0.46) HTTMAPTMEN1KMT2ANPC1
SCHEMBL29524029 0.81 HTT (0.43) HTTMAPTMEN1KMT2ANPC1
SCHEMBL4908932 0.77 KDM4E (0.49) HTTMAPTMEN1KMT2ANPC1
SCHEMBL11606418 0.76 MEN1 (0.44) HTTMAPTMEN1KMT2ANPC1
SCHEMBL27330187 0.76 HTT (0.60) HTTMAPTMEN1KMT2ANPC1
SCHEMBL11471261 0.72 CA12 (0.61) HTTMAPTMEN1KMT2ANPC1
SCHEMBL11481366 0.71 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11483392 0.71 MAPT (0.40) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11474051 0.70 CYP1A2 (0.43) HTTMAPTMEN1KMT2ANPC1
SCHEMBL11473053 0.69 ALDH1A1 (0.40) HTTMAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234119-B1 Pesticidal method using N-phenylpyrazoles RHONE POULENC AGROCHIMIE (FR) 1994-08-24 EP claimed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US claimed
EP-0234119-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1987-09-02 EP claimed
CN-86108643-A Insecticidal method using N-phenylpyrazoles 1987-07-29 CN claimed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO claimed
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0579280-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1994-01-19 EP disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0234119-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1987-09-02 EP disclosed
CN-86108643-A Insecticidal method using N-phenylpyrazoles 1987-07-29 CN disclosed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO disclosed
US-4235995-A BACTERIOCIDES, PARASITICIDES, HERBICIDES ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4066776-A Anti-bacterial compositions containing certain 3-nitropyrazoles ELI LILLY AND COMPANY (US) 1978-01-03 US disclosed