SCHEMBL8557804

SCHEMBL8557804

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
MMP2 P08253 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL8559719 0.83 ALOX5 (0.47) POLBALOX5KMT2AMGLLHPGD
SCHEMBL8556304 0.75 ALOX5 (0.54) ALOX5MEN1KMT2AMGLLHPGD
SCHEMBL9795578 0.69 MMP13 (0.40) POLBALOX5MEN1KMT2AFAAH
SCHEMBL11060756 0.65 ALOX5 (0.68) ALOX5FAAHMGLL
SCHEMBL11510261 0.62
SCHEMBL3060656 0.62 CRBN (0.34)
SCHEMBL4116842 0.61 ALOX5 (0.31) ALOX5CNR1
SCHEMBL8557801 0.60 FAAH (0.35) POLBL3MBTL1ALOX5MEN1KMT2A
SCHEMBL7253419 0.60 ALOX5 (0.50) L3MBTL1ALOX5GAA
SCHEMBL28716287 0.59 TSHR (0.33) POLBFAAHMGLLHPGDNPSR1

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