SCHEMBL487579

SCHEMBL487579

CC(C)(C)C(Cc1cnc(Cl)c(Cl)c1)ONC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.38
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
MAP4K4 O95819 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL22775209 0.71 GRIA2 (0.50) CPB2TDP1
SCHEMBL28442597 0.71 CPB2 (0.32) CPB2
SCHEMBL28437361 0.71 CPB2 (0.32) CPB2
SCHEMBL28437362 0.71 CPB2 (0.32) CPB2
SCHEMBL487602 0.70 CPB2 (0.35) CPB2ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL9998914 0.68 STK17B (0.41) ALDH1A1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL9998916 0.68 STK17B (0.41) ALDH1A1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL9999462 0.68 STK17B (0.41) ALDH1A1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL28438303 0.68 SCN9A (0.38) CA1CA2
SCHEMBL28439508 0.68 SCN9A (0.38) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed