SCHEMBL6503392

SCHEMBL6503392

O=[N+]([O-])c1cc(-c2ccccn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HIF1A Q16665 1/20 0.47
VCAM1 P19320 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KAT6A Q92794 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6508859 0.89 MAPT (0.42) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL31455238 0.88 TDP1 (0.49) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL27631548 0.83 ALDH1A1 (0.51) MAPTRAB9ANPC1ALDH1A1HIF1A
SCHEMBL8302605 0.82 MAPT (0.62) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL3031212 0.82 MAPT (0.63) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL6974757 0.82 AURKB (0.50) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL12643379 0.82 MAPT (0.69) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL1237443 0.79 TLR4 (0.49) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL13736898 0.79 MAPT (0.49) MAPTRAB9ANPC1TLR4TLR2
SCHEMBL9587022 0.79 MAPT (0.41) MAPTRAB9ANPC1KDM4EMEN1

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-2005040152-A1 HETEROYCLYLPHENYL-AND HETEROCYCLYLPYRIDYL-SUBSTITUTED AZOLECARBOXAMIDES AS HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-05-06 WO disclosed