SCHEMBL8557134

SCHEMBL8557134

O=C1NN(c2ccc(Cl)c(Cl)c2)CC(Cl)=C1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
ADRB1 P08588 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DYRK1A Q13627 3/20 0.39
MAPT P10636 1/20 0.38
BCL2A1 Q16548 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
RAD51 Q06609 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
SCHEMBL8556304 0.81 ALOX5 (0.54) ADRB1SLC6A4KMT2AMEN1CYP3A4
SCHEMBL8557804 0.79 POLB (0.37) KMT2AMEN1
SCHEMBL8559719 0.79 ALOX5 (0.47) KMT2ACYP2C9CYP2C19MAPTCTSG
SCHEMBL9637542 0.76 TRIM24 (0.39) DYRK1A
SCHEMBL8554791 0.74 SIRT6 (0.42) ADRB1KMT2AMEN1MAPT
SCHEMBL7094594 0.70 ALOX5 (0.67) ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL10834724 0.64 BCL2A1 (0.69) KMT2AMAPTBCL2A1RAD51
SCHEMBL11232168 0.63 ALOX5 (0.57) ADRB1SLC6A4KMT2AMEN1CYP3A4
SCHEMBL18841381 0.63 ALDH1A1 (0.55) ADAM17ADRB1SLC6A2SLC6A4KMT2A
SCHEMBL9624259 0.63 TP53 (0.49) ADAM17ADRB1SLC6A2SLC6A4KMT2A

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