SCHEMBL7841868

SCHEMBL7841868

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
KMT2A Q03164 4/20 0.50
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8002481 0.85 SRD5A2 (0.49) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL7483341 0.84 MAPT (0.46) MAPK1KMT2AMAOBMAOAALDH1A1
SCHEMBL7840421 0.82 CYP1A2 (0.51) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL7922602 0.81 HGFAC (0.42) MAPK1KMT2AALDH1A1MAPTMEN1
SCHEMBL8000281 0.79 MEN1 (0.46) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL7838560 0.79 KMT2A (0.56) KMT2AMAOBMAOAALDH1A1LMNA
SCHEMBL7480367 0.79 ALDH1A1 (0.50) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL8005114 0.78 MAPT (0.44) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL8002334 0.78 VCAM1 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL27459498 0.78 KMT2A (0.55) KMT2AMAOBMAOALMNAHTT

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