SCHEMBL7483341

SCHEMBL7483341

O=C(c1ccc(Cl)cc1)c1ccc(Cc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 3/20 0.46
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
VCAM1 P19320 2/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SRD5A2 P31213 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7840421 0.90 CYP1A2 (0.51) MAPTMAPK1TDP1POLBHTT
SCHEMBL8002481 0.89 SRD5A2 (0.49) MAPTMAPK1TDP1POLBHTT
SCHEMBL7989865 0.86 MAPT (0.43) MAPTMAPK1TDP1POLBHTT
SCHEMBL8005114 0.85 MAPT (0.44) MAPTMAPK1TDP1POLBHTT
SCHEMBL7841868 0.84 MAPK1 (0.54) MAPTMAPK1TDP1POLBHTT
SCHEMBL8001948 0.84 L3MBTL1 (0.44) MAPTMAPK1TDP1POLBHTT
SCHEMBL8000281 0.83 MEN1 (0.46) MAPTMAPK1TDP1POLBHTT
SCHEMBL7922602 0.80 HGFAC (0.42) MAPTMAPK1TDP1POLBHTT
SCHEMBL7484185 0.80 SRD5A2 (0.44) MAPTMAPK1TDP1HTTALDH1A1
SCHEMBL27457488 0.78 SMN1; SMN2 (0.47) MAPK1HTTSMN1; SMN2CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128141-C 1, 2, 4 -triazine -3, 5 -dione derivatives, their production and use thereof TAKEDA SHERING PLOUR ANIMAL HE (JP) 2003-11-19 CN disclosed
EP-0831088-B1 1,2,4-Triazine-3,5-dione derivatives as anticoccidial agents TAKEDA SCHERING PLOUGH ANIMAL (JP) 2002-11-27 EP disclosed
US-5985875-A USEFUL AS ANTI-PROTOZOAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-16 US disclosed
EP-0831088-A1 1,2,4-Triazine-3,5-dione derivatives as anticoccidial agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-25 EP disclosed
CN-1175577-A 1, 2, 4 -triazine -3, 5 -dione derivatives, their production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-11 CN disclosed