SCHEMBL7840238

SCHEMBL7840238

N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
VCAM1 P19320 3/20 0.45
ALDH1A1 P00352 2/20 0.43
SLC6A3 Q01959 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
GPR35 Q9HC97 1/20 0.37
MAPT P10636 2/20 0.36
PDE7A Q13946 3/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
KCNH2 Q12809 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6479217 0.89 HSD17B10 (0.44) HSD17B10VCAM1ALDH1A1SLC6A3CYP3A4
SCHEMBL8147067 0.87 MEN1 (0.46) HSD17B10VCAM1ALDH1A1GPR35MAPT
SCHEMBL11762817 0.85 HSD17B10 (0.57) HSD17B10VCAM1ALDH1A1SLC6A3CYP3A4
SCHEMBL10419484 0.84 ALDH1A1 (0.44) HSD17B10VCAM1ALDH1A1GPR35MAPT
SCHEMBL5561482 0.84 VCAM1 (0.40) HSD17B10VCAM1ALDH1A1MAPTPDE7A
SCHEMBL10421412 0.78 MEN1 (0.40) HSD17B10VCAM1ALDH1A1SLC6A3CYP3A4
SCHEMBL9455474 0.77 MAPT (0.43) HSD17B10VCAM1ALDH1A1MAPTPDE7A
SCHEMBL7838595 0.76 CYP3A4 (0.45) ALDH1A1SLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL10421676 0.76 ALDH1A1 (0.41) HSD17B10VCAM1ALDH1A1CYP3A4GPR35
SCHEMBL11762115 0.76 HSD17B10 (0.46) HSD17B10VCAM1ALDH1A1SLC6A3CYP3A4

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-0737672-B1 Method of producing triazine derivatives TAKEDA SCHERING PLOUGH ANIMAL (JP) 2001-10-04 EP disclosed
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0737672-A2 Method of producing triazine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-16 EP disclosed