SCHEMBL7219984

SCHEMBL7219984

C=C(Oc1cc(N)c(F)cc1Cl)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
ABL1 P00519 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL8084592 0.82 CUL4A (0.46) GAANPC1RAB9AMAPTKDM4E
SCHEMBL17466053 0.79 KDM4E (0.42) GAANPC1RAB9AMAPTKDM4E
SCHEMBL28874050 0.79 NPC1 (0.39) GAANPC1
SCHEMBL8370837 0.78 NPC1 (0.37) GAANPC1RAB9AMAPTPOLB
SCHEMBL7220398 0.78 NPC1 (0.33) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL27298534 0.77 NPC1 (0.36) GAANPC1RAB9AMAPTPOLB
Acetic Acid SCHEMBL28608762 0.75 LMNA (0.44) MAPTKDM4EPOLBSMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL28610225 0.75 LMNA (0.44) MAPTKDM4EPOLBSMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL28599804 0.74 LMNA (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL11168519 0.73 KMT2A (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed