SCHEMBL3784946

SCHEMBL3784946

COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C=CF

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 2/20 0.48
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
DHODH Q02127 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL11030238 0.88 KDM4E (0.46) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL11030232 0.88 KDM4E (0.46) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1917106 0.87 KDM4E (0.49) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL2466877 0.85 KDM4E (0.54) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL30481035 0.84 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1918075 0.84 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1917389 0.83 KDM4E (0.52) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL11030757 0.81 KDM4E (0.51) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL14354437 0.81 KDM4E (0.51) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1917947 0.81 KDM4E (0.48) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM

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-2193120-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-06-09 EP disclosed
WO-2009046090-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-09 WO disclosed