SCHEMBL7922600

SCHEMBL7922600

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.30
CHRM2 P08172 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
ADRA2B P18089 2/20 0.30
SLC6A2 P23975 2/20 0.30
HRH2 P25021 2/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30
HRH1 P35367 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 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
SCHEMBL7919224 0.89 MEN1 (0.33) MEN1NR1I2KMT2ATSHRCHRM2
SCHEMBL7917015 0.88 DRD4 (0.32) MEN1NR1I2KMT2ATSHRCHRM2
SCHEMBL7917711 0.86 MEN1 (0.31) MEN1NR1I2KMT2ATSHRCHRM2
SCHEMBL7917009 0.85 FPR2 (0.35) MEN1NR1I2KMT2ATSHRCHRM2
SCHEMBL7919228 0.85 SLC6A2 (0.40) MEN1NR1I2KMT2ATSHRCHRM2
SCHEMBL7917733 0.85 MEN1 (0.33) MEN1NR1I2KMT2ATSHR
SCHEMBL7917049 0.84 MEN1 (0.34) MEN1NR1I2KMT2A
SCHEMBL7919693 0.82 MEN1 (0.34) MEN1NR1I2KMT2A
SCHEMBL7917510 0.82 MEN1 (0.34) MEN1NR1I2KMT2ATSHR
SCHEMBL7917757 0.81 FPR2 (0.33) 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