SCHEMBL9112827

SCHEMBL9112827

O=[N+]([O-])c1ccccc1C=NCCC(F)=C(F)F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 2/20 0.42
PTBP1 P26599 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL9112821 1.00 CA12 (0.65) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL4896484 0.83 CA12 (0.84) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL4896487 0.83 CA12 (0.84) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL14163515 0.83 CA12 (0.84) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL379471 0.78 CA12 (0.74) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL379472 0.78 CA12 (0.74) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL11966962 0.78 CA12 (0.74) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL22013355 0.75 CA12 (0.80) CA12ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL8561663 0.75 MAPT (0.55) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL9112970 0.74 CA2 (0.46) CA12ALDH1A1SMN1; SMN2KDM4EMEN1

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-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US claimed