SCHEMBL8554791

SCHEMBL8554791

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

nearest known ligand 0.42

Predicted protein targets (top 16)

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 0.39
ALDH1A1 P00352 2/20 0.39
SCN2A Q99250 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLEC Q15149 1/20 0.38
CRBN Q96SW2 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL9637542 0.76 TRIM24 (0.39) ALDH1A1MAPK1
SCHEMBL11856255 0.69 ALOX5 (0.60) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL3382349 0.67 SIRT6 (0.47) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL8554788 0.65 SIRT6 (0.42) SIRT6ADRB1KAT2BMAPTPOLB
SCHEMBL5363025 0.64 SIRT6 (0.56) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL8103968 0.64 CRBN (0.48) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL2544301 0.64 SIRT6 (0.44) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL15271381 0.62 SIRT6 (0.81) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL9187712 0.62 GSK3A (0.56) SIRT6ADRB1KAT2BMAPTPOLB
SCHEMBL6151230 0.62 SIRT6 (0.81) SIRT6ADRB1MAPTPOLBALDH1A1

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