SCHEMBL7839893

SCHEMBL7839893

COC(CNC(=O)N(N=Cc1ccccc1)c1cc(Cl)c(Cc2cccc(C(C)=O)c2)c(Cl)c1)OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
IL4I1 Q96RQ9 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SLC7A5 Q01650 1/20 0.31
PTGER4 P35408 1/20 0.30
G6PC1 P35575 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
SCHEMBL7839890 1.00 MRGPRX4 (0.34) MRGPRX4KMT2AALDH1A1KDM4EIL4I1
SCHEMBL7830131 0.92 LMNA (0.35) KMT2AALDH1A1KDM4EMAOBMAOA
SCHEMBL8005624 0.83 SRD5A2 (0.36) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL8005622 0.83 SRD5A2 (0.36) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL8000238 0.81 LMNA (0.34) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL7829241 0.79 KMT2A (0.36) KMT2AALDH1A1KDM4EMEN1PPARG
SCHEMBL7829244 0.79 KMT2A (0.36) KMT2AALDH1A1KDM4EMEN1PPARG
SCHEMBL8002325 0.77 KDM4E (0.33) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL8001911 0.77 LMNA (0.32) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL8001906 0.77 LMNA (0.32) KMT2AALDH1A1KDM4EMEN1L3MBTL1

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