SCHEMBL10593189

SCHEMBL10593189

Fc1ccc(Cl)c(-c2nc(Cl)n(-c3ccccc3C(F)(F)F)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.41
P2RX7 Q99572 1/20 0.38
HCAR1 Q9BXC0 1/20 0.36
CHRM5 P08912 1/20 0.36
NR3C1 P04150 2/20 0.34
PGR P06401 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
MAPT P10636 2/20 0.34
NR1I2 O75469 1/20 0.34
AR P10275 1/20 0.34
RXRA P19793 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CRHR1 P34998 1/20 0.33
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL10595099 0.90 HSD11B1 (0.49) HSD11B1P2RX7HCAR1NR3C1PGR
SCHEMBL10592781 0.86 HSD11B1 (0.45) HSD11B1P2RX7HCAR1RXFP1MAPT
SCHEMBL10593971 0.81 HSD11B1 (0.48) HSD11B1HCAR1MAPTALDH1A1LMNA
SCHEMBL10594058 0.81 HSD11B1 (0.49) HSD11B1P2RX7NR3C1PGRRXFP1
SCHEMBL10594895 0.80 P2RX7 (0.42) HSD11B1P2RX7HCAR1MAPTALDH1A1
SCHEMBL10601471 0.80 HCAR1 (0.37) HSD11B1P2RX7HCAR1NR1H2NR1H3
SCHEMBL10593715 0.80 HSD11B1 (0.36) HSD11B1P2RX7HCAR1NR3C1NR1H2
SCHEMBL10592226 0.80 HSD11B1 (0.54) HSD11B1P2RX7NR3C1NR1H2NR1H3
SCHEMBL10593160 0.79 MAPT (0.41) PGRMAPTARALDH1A1TRPA1
SCHEMBL10594791 0.78 HCAR1 (0.39) HSD11B1P2RX7HCAR1NR1H2NR1H3

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-4871757-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1989-10-03 US disclosed
EP-0208321-A2 Triazole derivatives, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed