SCHEMBL9830876

SCHEMBL9830876

Cn1nc(-c2cnccc2Cl)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.51
SLC22A12 Q96S37 1/20 0.41
GRM5 P41594 1/20 0.40
TRPA1 O75762 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL6781711 0.91 HSD11B1 (0.48) HSD11B1SLC22A12GRM5GPBAR1
SCHEMBL9705543 0.87 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830823 0.85 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830541 0.83 HSD11B1 (0.58) HSD11B1TRPA1
SCHEMBL4611901 0.83 HSD11B1 (0.56) HSD11B1TRPA1
SCHEMBL9832170 0.82 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9831595 0.82 HSD11B1 (0.56) HSD11B1TRPA1
SCHEMBL9832924 0.81 HSD11B1 (0.48) HSD11B1
SCHEMBL9830651 0.81 HSD11B1 (0.54) HSD11B1
SCHEMBL9829470 0.81 HSD11B1 (0.50) 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 2 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 disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed