SCHEMBL28682190

SCHEMBL28682190

FC(F)(F)c1ccc(-n2c[c]nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 4/20 0.35
NOTUM Q6P988 1/20 0.35
CYP11B2 P19099 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
XDH P47989 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL1895992 0.80 NOTUM (0.49) NOTUMMAPTRAB9AALDH1A1
SCHEMBL12804219 0.79 MAPT (0.42) TDP1MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL1040317 0.79 NOTUM (0.34) TDP1NOTUMMAPTRAB9AALDH1A1
SCHEMBL17626275 0.75 NOTUM (0.47) NOTUMMAPTRAB9AMGLL
SCHEMBL7160362 0.75 F2 (0.35) TDP1NOTUMMAPTRAB9AL3MBTL1
SCHEMBL7160454 0.74 ALKBH5 (0.39) NOTUM
SCHEMBL28698714 0.70 TDP1 (0.41) TDP1KIF11NOTUMCYP11B2MAPT
SCHEMBL5983395 0.70 KDM4E (0.44) ALDH1A1HIF1A
SCHEMBL5445153 0.68 TDP1 (0.35) TDP1KIF11NOTUMGSK3AGSK3B
SCHEMBL709619 0.68 LMNA (0.58) TDP1NOTUMCYP11B2MAPTALDH1A1

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed