SCHEMBL9830362

SCHEMBL9830362

CCn1nc(-c2c(F)cccc2Cl)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.45
NR1H3 Q13133 3/20 0.39
NR1H2 P55055 2/20 0.36
PTGES O14684 2/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9830637 0.86 HSD11B1 (0.54) HSD11B1NR1H3NR1H2
SCHEMBL9830092 0.85 HSD11B1 (0.51) HSD11B1PTGES
SCHEMBL9829646 0.85 HSD11B1 (0.47) HSD11B1NR1H3NR1H2
SCHEMBL9829810 0.83 HSD11B1 (0.54) HSD11B1NR1H3NR1H2P2RX7
SCHEMBL9830832 0.82 HSD11B1 (0.44) HSD11B1NR1H3NR1H2KDM4E
SCHEMBL9830317 0.77 HSD11B1 (0.55) HSD11B1
SCHEMBL9830794 0.76 HSD11B1 (0.53) HSD11B1P2RX7
SCHEMBL9275319 0.76 HSD11B1 (0.54) HSD11B1
SCHEMBL9832092 0.74 HSD11B1 (0.52) HSD11B1
SCHEMBL9831536 0.74 HSD11B1 (0.55) HSD11B1NR1H3KDM4E

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