SCHEMBL7829241

SCHEMBL7829241

CCOC(CNC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2ccc(Cl)cc2)c(Cl)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.33
G6PC1 P35575 1/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TNF P01375 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NOD2 Q9HC29 1/20 0.32
GPR35 Q9HC97 1/20 0.32
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL7829244 1.00 KMT2A (0.36) KMT2AMEN1POLBNPSR1MAPT
SCHEMBL7830131 0.83 LMNA (0.35) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8005624 0.82 SRD5A2 (0.36) KMT2AMEN1POLBNPSR1MAPT
SCHEMBL8005622 0.82 SRD5A2 (0.36) KMT2AMEN1POLBNPSR1MAPT
SCHEMBL8000238 0.78 LMNA (0.34) KMT2AMEN1POLBNPSR1LMNA
SCHEMBL8000241 0.78 LMNA (0.34) KMT2AMEN1POLBNPSR1LMNA
SCHEMBL8002328 0.74 KDM4E (0.33) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8002325 0.74 KDM4E (0.33) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL7837271 0.74 UTS2R (0.33) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL7837274 0.74 UTS2R (0.33) KMT2AMEN1POLBALDH1A1HPGD

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