SCHEMBL9829470

SCHEMBL9829470

Cn1nc(-c2ccncc2)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.50
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4C Q9H3R0 2/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL9829342 0.86 NPY5R (0.48) HSD11B1NR1H2NR1H3NPC1RAB9A
SCHEMBL9830541 0.86 HSD11B1 (0.58) HSD11B1NR1H2NR1H3NPC1RAB9A
SCHEMBL9831125 0.83 HSD11B1 (0.46) HSD11B1NR1H2NR1H3NPC1RAB9A
SCHEMBL9832170 0.82 HSD11B1 (0.54) HSD11B1TRPA1ALDH1A1CYP1A2CYP3A4
SCHEMBL9830814 0.82 HSD11B1 (0.54) HSD11B1NR1H2NR1H3NPC1RAB9A
SCHEMBL9830876 0.81 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL9829855 0.81 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9829125 0.80 ALDH1A1 (0.44) HSD11B1NR1H2NR1H3NPC1RAB9A
SCHEMBL9829053 0.80 GRM5 (0.51) HSD11B1NPC1RAB9AKDM4CALDH1A1
SCHEMBL9705543 0.80 HSD11B1 (0.62) HSD11B1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP claimed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 EP claimed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed