SCHEMBL7470125

SCHEMBL7470125

O=C(c1ccc(Cl)cc1)c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
LSS P48449 3/20 0.33
SRD5A2 P31213 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
AR P10275 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
SCHEMBL8002706 0.93 LSS (0.34) HRH1HRH3ALDH1A1PKMLSS
SCHEMBL7838791 0.92 ALDH1A1 (0.35) KDM4AKDM4CKDM5BALDH1A1PKM
SCHEMBL8001979 0.92 SRD5A2 (0.40) ALDH1A1MT-CO1MT-CO2SRD5A2HTT
SCHEMBL8002345 0.91 AR (0.30) AR
SCHEMBL7998737 0.90 KLKB1 (0.36) ALDH1A1PKMMT-CO1MT-CO2SRD5A2
SCHEMBL8002443 0.90 MAPT (0.34) MT-CO1MT-CO2HTT
SCHEMBL7999035 0.90 KMT2A (0.34) VNN1ALDH1A1NPC1
SCHEMBL8002517 0.90 TP53 (0.34) KDM4AKDM5BALDH1A1MT-CO1MT-CO2
SCHEMBL8000233 0.89 KDM4A (0.32) KDM4AKDM4CKDM5B
SCHEMBL7990339 0.89 PARP1 (0.34) VNN1

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-0831088-B1 1,2,4-Triazine-3,5-dione derivatives as anticoccidial agents TAKEDA SCHERING PLOUGH ANIMAL (JP) 2002-11-27 EP disclosed
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US 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