SCHEMBL28098740

SCHEMBL28098740

O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
RAB9A P51151 7/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
HTT P42858 3/20 0.56
POLB P06746 1/20 0.54
PPIA P62937 1/20 0.54
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9348863 0.87 KMT2A (0.59) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8657856 0.84 KMT2A (0.59) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10772727 0.84 RAB9A (0.66) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11090892 0.84 KMT2A (0.64) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10646227 0.82 MEN1 (0.60) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8658188 0.82 MEN1 (0.56) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8660904 0.82 KMT2A (0.64) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8656132 0.82 NPC1 (0.59) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11591285 0.81 ATM (0.55) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL30851501 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-106070278-A A kind of compound pesticide compositions of brominated cyanogen insect amide and Cascade and application thereof 南京华洲药业有限公司 2016-11-09 CN disclosed