SCHEMBL7480508

SCHEMBL7480508

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(Cc3ccccc3)cc2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PARP11 Q9NR21 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALPL P05186 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
OPRK1 P41145 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7838791 0.90 ALDH1A1 (0.35) KDM4ELMNAHTTALDH1A1MEN1
SCHEMBL7990242 0.89 PRKAB2 (0.33)
SCHEMBL7839566 0.84 KMT2A (0.39) LMNAMEN1KMT2AMAPT
SCHEMBL7990341 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8005703 0.81 CYP19A1 (0.33) KMT2A
SCHEMBL8002345 0.80 AR (0.30)
SCHEMBL8005151 0.79
SCHEMBL8001913 0.79 TSHR (0.34)
SCHEMBL7990274 0.79 TP53 (0.41) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL8002451 0.79 MAP2K1 (0.41) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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