SCHEMBL9831028

SCHEMBL9831028

Cn1nc(-c2ccc(F)cc2F)nc1-c1ccccc1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GRM5 P41594 1/20 0.34
MAPK14 Q16539 2/20 0.33
ADORA1 P30542 1/20 0.33
P2RX7 Q99572 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
AKR1B1 P15121 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL9830769 0.82 HSD11B1 (0.53) HSD11B1
SCHEMBL9831021 0.81 HSD11B1 (0.42) HSD11B1NPC1RAB9ANR1H2NR1H3
SCHEMBL10941820 0.72 NPC1 (0.49) HSD11B1NPC1RAB9ANR1H2NR1H3
SCHEMBL17207294 0.71 PRKD3 (0.36) GRM5MAPK14PDE10AKDM4EMEN1
SCHEMBL9829408 0.71 HSD11B1 (0.67) HSD11B1
SCHEMBL9830639 0.71 HSD11B1 (0.67) HSD11B1NR1H2NR1H3
SCHEMBL9829855 0.70 HSD11B1 (0.53) HSD11B1
SCHEMBL9830811 0.68 HSD11B1 (0.48) HSD11B1
SCHEMBL24407519 0.68 GAA (0.40) HSD11B1GRM5MAPK14P2RX7PDE10A
SCHEMBL9829686 0.67 HSD11B1 (0.50) HSD11B1NPC1RAB9ANR1H2NR1H3

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
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP claimed