SCHEMBL8557801

SCHEMBL8557801

O=C1NN(c2ccc(Br)cc2)C=C(Cl)C1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CNR1 P21554 1/20 0.35
POLB P06746 4/20 0.34
MIF P14174 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
PFKFB3 Q16875 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8559717 0.83 ALDH1A1 (0.41) MGLLPOLBL3MBTL1ALOX5KMT2A
SCHEMBL10883345 0.83 ALDH1A1 (0.37) MGLLPOLBL3MBTL1ALOX5MEN1
SCHEMBL4183804 0.83 GAA (0.39) L3MBTL1ALOX5MEN1KMT2ANPC1
SCHEMBL8554788 0.78 SIRT6 (0.42) POLBMIFMEN1KMT2ANPC1
SCHEMBL8556301 0.75 ALOX5 (0.46) MGLLALOX5MEN1KMT2AHPGD
SCHEMBL4116842 0.58 ALOX5 (0.31) CNR1ALOX5
SCHEMBL10087069 0.57 HTT (0.53) FAAHMGLLCNR1POLBMIF
SCHEMBL11060756 0.57 ALOX5 (0.68) FAAHMGLLALOX5
SCHEMBL19707275 0.57 FAAH (0.60) FAAHMGLLCNR1POLBL3MBTL1
SCHEMBL29208265 0.57 HRH3 (0.42) FAAHMGLLPOLBL3MBTL1MEN1

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