SCHEMBL9110666

SCHEMBL9110666

CN(C)c1ccc(/C=N/CCC(F)=C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 7/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44

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
SCHEMBL9110675 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4901434 0.81 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL4901443 0.81 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL9112968 0.78 CA2 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4602955 0.78 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL4602953 0.78 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL9112970 0.78 CA2 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL15367607 0.76 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL465253 0.73 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL1133259 0.73 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA9

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