SCHEMBL9828377

SCHEMBL9828377

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.52
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36
▸ GABRG3 Q99928 1/20 0.36
▸ GABRQ Q9UN88 1/20 0.36

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
SCHEMBL9828373 1.00 HSD11B1 (0.52) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL9829445 0.95 HSD11B1 (0.52) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL9829453 0.95 HSD11B1 (0.52) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL9831776 0.85 HSD11B1 (0.51) HSD11B1
SCHEMBL9705543 0.81 HSD11B1 (0.62) HSD11B1
SCHEMBL9828654 0.78 HSD11B1 (0.54) HSD11B1
SCHEMBL9830637 0.78 HSD11B1 (0.54) HSD11B1
SCHEMBL9830794 0.77 HSD11B1 (0.53) HSD11B1
SCHEMBL4611901 0.76 HSD11B1 (0.56) HSD11B1
SCHEMBL9830317 0.76 HSD11B1 (0.55) HSD11B1

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 5 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
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
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 — — EP disclosed
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