SCHEMBL7917733

SCHEMBL7917733

O=C1NCC=NN1c1cc(Cl)c(C(c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
CNR1 P21554 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
SCHEMBL7917049 0.85 MEN1 (0.34) MEN1NR1I2KMT2ACNR1
SCHEMBL7922600 0.85 MEN1 (0.32) MEN1NR1I2KMT2ATSHR
SCHEMBL7919693 0.83 MEN1 (0.34) MEN1NR1I2KMT2A
SCHEMBL7917510 0.83 MEN1 (0.34) MEN1NR1I2KMT2ALMNATSHR
SCHEMBL7917757 0.81 FPR2 (0.33) MEN1NR1I2KMT2ALMNATDP1
SCHEMBL7919224 0.81 MEN1 (0.33) MEN1NR1I2KMT2ALMNAHPGD
SCHEMBL7838454 0.80 MEN1 (0.54) MEN1NR1I2KMT2ALMNA
SCHEMBL7917015 0.80 DRD4 (0.32) MEN1NR1I2KMT2ALMNATSHR
SCHEMBL7917711 0.78 MEN1 (0.31) MEN1NR1I2KMT2ALMNAHPGD
SCHEMBL7917047 0.78 CYP3A4 (0.31) MEN1NR1I2KMT2A

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
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-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed