SCHEMBL7829831

SCHEMBL7829831

Clc1ccc(Cc2c(Cl)cc(NN=Cc3ccccc3)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
NOX1 Q9Y5S8 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 4/20 0.48
SMN1; SMN2 Q16637 7/20 0.44
GAA P10253 6/20 0.44
GFER P55789 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.42
RAB9A P51151 9/20 0.42
NPC1 O15118 7/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL7829827 1.00 MAPT (0.57) MAPTNOX1MEN1KMT2APOLB
SCHEMBL7483622 0.91 MEN1 (0.49) MAPTNOX1MEN1KMT2APOLB
SCHEMBL7483627 0.91 MEN1 (0.49) MAPTNOX1MEN1KMT2APOLB
SCHEMBL7843648 0.84 LMNA (0.46) MAPTNOX1MEN1KMT2APOLB
SCHEMBL7843652 0.84 LMNA (0.46) MAPTNOX1MEN1KMT2APOLB
SCHEMBL7990285 0.83 MEN1 (0.44) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL7990282 0.83 MEN1 (0.44) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8005181 0.80 KMT2A (0.39) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8005183 0.80 KMT2A (0.39) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8002204 0.78 NPC1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2

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