SCHEMBL6646232

SCHEMBL6646232

CC(C)C(=O)c1cncnc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
MEN1 O00255 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 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
SCHEMBL18798775 0.83 EIF4E (0.40) MALT1MEN1ALDH1A1CYP3A4TSHR
SCHEMBL8005261 0.79 ABL1 (0.34) KMT2A
SCHEMBL1752108 0.79 KDM4E (0.40) MALT1MEN1ALDH1A1TSHRKMT2A
SCHEMBL30079271 0.75 TSHR (0.47) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL6646376 0.74 MGLL (0.39)
SCHEMBL12338164 0.71 PTGDR2 (0.34) MALT1CYP17A1PTGDR2
SCHEMBL2611027 0.70 GABRA1 (0.33) MALT1CYP17A1
SCHEMBL27566740 0.70 KMT2A (0.45) ALDH1A1CYP1A2KMT2A
SCHEMBL30079323 0.69 PTGDR2 (0.34) MALT1ALDH1A1CYP17A1PTGDR2
SCHEMBL7802717 0.69 SIRT3 (0.41) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806230-B1 NITROGEN COMPOUNDS SUCH AS N-METHYL-N-(2-METHYL-1-(4-TRIFLUORO METHYLPYRIMIDIN-5-YL)PROPYL)PHENYLACETAMIDE, USED FOR PREFERENTIAL CONTROL OF WEEDS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-10-19 US disclosed
EP-1211246-B1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 2004-02-25 EP disclosed
EP-1211246-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-06-05 EP disclosed