SCHEMBL7480367

SCHEMBL7480367

O=[N+]([O-])c1cc(Cl)c(Cc2ccccc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 1/20 0.47
PDE7A Q13946 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
RIPK1 Q13546 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8000542 0.89 MEN1 (0.48) ALDH1A1HSD17B10PDE7AHTTTSHR
SCHEMBL7840421 0.86 CYP1A2 (0.51) ALDH1A1HSD17B10HTTTSHRLMNA
SCHEMBL8002695 0.83 TSHR (0.51) ALDH1A1HSD17B10TSHRMEN1MAPT
SCHEMBL8002334 0.82 VCAM1 (0.49) ALDH1A1HSD17B10TSHRMEN1MAPT
SCHEMBL6309363 0.80 HSD17B10 (0.53) ALDH1A1HSD17B10PDE7AHTTTSHR
SCHEMBL7841868 0.79 MAPK1 (0.54) ALDH1A1HSD17B10HTTLMNANPC1
SCHEMBL2137454 0.78 ALDH1A1 (0.53) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL7483341 0.77 MAPT (0.46) ALDH1A1HTTLMNANPC1MEN1
SCHEMBL2000421 0.77 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL6203707 0.77 HSD17B10 (0.53) ALDH1A1HSD17B10PDE7AHTTTSHR

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
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
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO 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