SCHEMBL7829968

SCHEMBL7829968

Nc1cc(Cl)c(Cc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 3/20 0.39

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
SCHEMBL7484185 0.87 SRD5A2 (0.44) CYP3A4ALDH1A1MAPTTDP1MEN1
SCHEMBL7806594 0.85 MAOB (0.44) HSP90AB1CYP3A4ALDH1A1MAPTSLC6A4
SCHEMBL24781301 0.83 CALM1 (0.44) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL10066799 0.80 HSP90AB1 (0.43) HSP90AB1CYP3A4ALDH1A1MAPTPOLB
SCHEMBL3985532 0.80 HSP90AB1 (0.43) HSP90AB1CYP3A4ALDH1A1MAPTPOLB
SCHEMBL10339034 0.79 CYP3A4 (0.55) CYP3A4ALDH1A1MAPTPOLBTSHR
SCHEMBL7836753 0.79 HSP90AB1 (0.39) HSP90AB1CYP3A4ALDH1A1MAPTSLC6A4
SCHEMBL7838560 0.77 KMT2A (0.56) ALDH1A1MAPTTSHRSLC6A4SLC6A2
SCHEMBL7990297 0.76 SRD5A2 (0.41) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL1149063 0.76 MAPT (0.49) HSP90AB1CYP3A4ALDH1A1MAPTPOLB

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