SCHEMBL7830133

SCHEMBL7830133

COC(CNC(=O)N(N=Cc1ccccc1)c1cc(Cl)c(Cc2ccc(C(C)=O)cc2)c(Cl)c1)OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MEN1 O00255 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL7830131 1.00 LMNA (0.35) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL7839893 0.92 MRGPRX4 (0.34) KMT2AALDH1A1KDM4EGAACA1
SCHEMBL8000238 0.87 LMNA (0.34) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL8000241 0.87 LMNA (0.34) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL8005624 0.86 SRD5A2 (0.36) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL8005622 0.86 SRD5A2 (0.36) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL7829241 0.83 KMT2A (0.36) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7829244 0.83 KMT2A (0.36) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8002328 0.83 KDM4E (0.33) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL8002325 0.83 KDM4E (0.33) LMNAKMT2AALDH1A1KDM4EGAA

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