SCHEMBL10693864

SCHEMBL10693864

O=C(NC(=O)c1c(F)cccc1F)Nc1cncc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
TRPA1 O75762 3/20 0.49
TLR7 Q9NYK1 1/20 0.49
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
NOD2 Q9HC29 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX7 Q99572 1/20 0.44
IL2 P60568 2/20 0.44
MAPT P10636 1/20 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
SCHEMBL30499684 0.84 MAPT (0.62) TRPA1TLR7LMNAMEN1KMT2A
SCHEMBL7607258 0.84 MAPT (0.62) TRPA1TLR7LMNAMEN1KMT2A
Penfluron SCHEMBL117735 0.81 EPHX2 (0.60) TRPA1TLR7CYP1A2MEN1KMT2A
SCHEMBL11181555 0.80 SMN1; SMN2 (0.58) TLR7LMNAMEN1KMT2ANPC1
SCHEMBL9326300 0.79 EPHX2 (0.57) TRPA1TLR7CYP1A2MEN1KMT2A
SCHEMBL9621859 0.78 MEN1 (0.50) TRPA1TLR7CYP1A2MEN1KMT2A
SCHEMBL10934022 0.77 KDM4E (0.52) TLR7MEN1KMT2ARAB9ANPC1
SCHEMBL11100265 0.76 HCRTR1 (0.61) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL10525954 0.75 TLR7 (0.62) TLR8TRPA1TLR7CYP1A2MEN1
SCHEMBL29608194 0.75 MEN1 (0.54) TLR8TRPA1TLR7CYP1A2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP disclosed