SCHEMBL17596368

SCHEMBL17596368

CCc1nn(-c2ccccc2)c(C(F)(F)F)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4D Q08499 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C1 P04150 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 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
SCHEMBL2545006 0.81 GAA (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL20427927 0.74 PDE4D (0.71) ALDH1A1KDM4EMAPTMAPK1PDE4D
SCHEMBL4524302 0.73 GAA (0.57) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL20427928 0.73 CYP1A2 (0.60) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL1765721 0.72 PDE4D (0.42) ALDH1A1KDM4EPDE4DHPGDLMNA
SCHEMBL14483300 0.72 MEN1 (0.61) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL4506277 0.71 LMNA (0.65) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL17596364 0.71 POLB (0.42) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL2559503 0.71 PDE4D (0.56) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL12264899 0.70 PDE4D (0.59) ALDH1A1MAPTPOLBSMN1; SMN2PDE4D

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
WO-2016038143-A1 MICROBIOCIDAL 4-(IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3- AMINE COMPOUNDS HAVING AN OXIME GROUP IN POSITION 7 SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed