SCHEMBL7917028

SCHEMBL7917028

Cc1cc(-n2ncc(=S)[nH]c2=O)cc(Cl)c1C(C#N)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NR1I2 O75469 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 8/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
MCL1 Q07820 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 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
SCHEMBL7919703 0.90 MEN1 (0.86) MEN1KMT2ANR1I2L3MBTL1THRB
SCHEMBL10420205 0.85 MEN1 (0.82) MEN1KMT2ANR1I2L3MBTL1THRB
SCHEMBL10420836 0.82 MEN1 (0.72) MEN1KMT2ANR1I2THRBALDH1A1
Diclazuril SCHEMBL126138 0.82 MEN1 (1.00) MEN1KMT2ANR1I2L3MBTL1THRB
SCHEMBL10420863 0.80 MEN1 (0.58) MEN1KMT2ANR1I2THRBALDH1A1
SCHEMBL10420207 0.78 KMT2A (0.55) MEN1KMT2ANR1I2L3MBTL1THRB
SCHEMBL10421668 0.76 MEN1 (0.54) MEN1KMT2ANR1I2THRBALDH1A1
SCHEMBL7919164 0.75 MEN1 (0.65) MEN1KMT2ANR1I2L3MBTL1ALDH1A1
SCHEMBL10421447 0.75 MEN1 (0.65) MEN1KMT2ANR1I2THRBALDH1A1
SCHEMBL8438877 0.75 MEN1 (0.41) MEN1KMT2ANR1I2THRBMAPT

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