SCHEMBL3784949

SCHEMBL3784949

C=Cc1c(N)nc(-c2ccc(Cl)c(CCF)c2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
PKM P14618 2/20 0.39
RCE1 Q9Y256 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR4 O95977 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ACLY P53396 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOTUM Q6P988 2/20 0.33
DHFR P00374 3/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
DPP4 P27487 1/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL721132 0.85 KDM4E (0.53) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL719097 0.85 KDM4E (0.42) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL716661 0.83 KDM4E (0.43) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL721639 0.83 KDM4E (0.42) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL719560 0.82 NOTUM (0.51) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL1918257 0.81 KDM4E (0.40) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL721162 0.81 KDM4E (0.51) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL719542 0.80 ERN1 (0.39) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL3781927 0.80 DPP4 (0.33) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL3455141 0.78 HTT (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1

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