SCHEMBL8554788

SCHEMBL8554788

O=C1NN(c2ccc([N+](=O)[O-])cc2)C=C(Cl)C1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
KAT2B Q92831 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLEC Q15149 1/20 0.40
MIF P14174 1/20 0.39
NPC1 O15118 1/20 0.39
SCN2A Q99250 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
CRBN Q96SW2 1/20 0.37

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
SCHEMBL8554791 0.65 SIRT6 (0.42) SIRT6ADRB1KAT2BMAPTPOLB
SCHEMBL11320631 0.65 CYP1A2 (0.67) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL29242 0.65 CYP1A2 (0.67) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL28180410 0.65 CYP1A2 (0.67) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL2724772 0.65 CYP1A2 (0.67) MAPTPOLBMEN1KMT2ANPC1
Fluoride SCHEMBL8146479 0.63 CYP1A2 (0.64) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL10506583 0.63 CYP1A2 (0.64) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL28546705 0.63 CYP1A2 (0.64) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL10506577 0.63 CYP1A2 (0.64) MAPTPOLBMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL28429390 0.63 CYP1A2 (0.64) MAPTPOLBMEN1KMT2ANPC1

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-0756598-B1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS DOW CHEMICAL CO (US) 1998-09-16 EP disclosed
EP-0756598-A1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1997-02-05 EP disclosed
US-5488051-A BACTERICIDES, FUNGICIDES, ALGICIDES AND ANTIPROTOZOA AGENTS THE DOW CHEMICAL COMPANY (US) 1996-01-30 US disclosed
WO-1995029181-A1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1995-11-02 WO disclosed