SCHEMBL7837271

SCHEMBL7837271

COC(CNC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(C(C#N)c2ccc(Cl)cc2)c(Cl)c1)OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.31
NR1I2 O75469 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C1 Q04828 1/20 0.30
HPGD P15428 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
SCHEMBL7837274 1.00 UTS2R (0.33) UTS2RMEN1KMT2APOLBNR1I2
SCHEMBL7472872 0.79 KMT2A (0.34) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL8005624 0.76 SRD5A2 (0.36) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL8005622 0.76 SRD5A2 (0.36) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL7830131 0.75 LMNA (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7830133 0.75 LMNA (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7829241 0.74 KMT2A (0.36) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7829244 0.74 KMT2A (0.36) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7839893 0.74 MRGPRX4 (0.34) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8000241 0.70 LMNA (0.34) MEN1KMT2APOLBALDH1A1NPC1

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