SCHEMBL9831776

SCHEMBL9831776

C=Cn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.51
▸ TRPA1 O75762 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL9828377 0.85 HSD11B1 (0.52) HSD11B1
SCHEMBL9828373 0.85 HSD11B1 (0.52) HSD11B1
SCHEMBL9829202 0.81 HSD11B1 (0.48) HSD11B1TRPA1TRPM8TRPV1ATM
SCHEMBL9705543 0.80 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9829445 0.80 HSD11B1 (0.52) HSD11B1
SCHEMBL9829453 0.80 HSD11B1 (0.52) HSD11B1
SCHEMBL9830794 0.79 HSD11B1 (0.53) HSD11B1TRPA1TRPM8TRPV1P2RX7
SCHEMBL9830270 0.77 HSD11B1 (0.51) HSD11B1TRPA1TRPM8TRPV1P2RX7
SCHEMBL9830637 0.77 HSD11B1 (0.54) HSD11B1
SCHEMBL9828654 0.77 HSD11B1 (0.54) HSD11B1ATM

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
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