SCHEMBL7919364

SCHEMBL7919364

Cc1cc(N2NCCNC2=O)cc(Cl)c1C(C#N)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SLC22A1 O15245 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HSPD1 P10809 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL7922620 0.92 MEN1 (0.53) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7919718 0.84 POLB (0.32) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7910256 0.83 MEN1 (0.44) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7919347 0.77 MEN1 (0.47) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7922508 0.75 MEN1 (0.52) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7910299 0.74 ALDH1A1 (0.33) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7922614 0.73 ALDH1A1 (0.33) MEN1KMT2AALDH1A1PTGS2SMN1; SMN2
SCHEMBL7922545 0.73 THRB (0.37) ALDH1A1THRBPTGS2SMN1; SMN2
SCHEMBL9823375 0.72 MEN1 (0.49) MEN1KMT2ANR1I2ALDH1A1GAA
SCHEMBL7919703 0.72 MEN1 (0.86) MEN1KMT2ANR1I2L3MBTL1THRB

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