SCHEMBL9829453

SCHEMBL9829453

CC=Cn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 0.52
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ 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

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
SCHEMBL9829445 1.00 HSD11B1 (0.52) HSD11B1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9828373 0.95 HSD11B1 (0.52) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL9828377 0.95 HSD11B1 (0.52) HSD11B1GABRPGABRDGABRA1GABRB1
SCHEMBL9830823 0.81 HSD11B1 (0.62) HSD11B1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9831776 0.80 HSD11B1 (0.51) HSD11B1
SCHEMBL9829810 0.78 HSD11B1 (0.54) HSD11B1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9831228 0.78 HSD11B1 (0.54) HSD11B1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9831536 0.76 HSD11B1 (0.55) HSD11B1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL9705543 0.76 HSD11B1 (0.62) HSD11B1
SCHEMBL9829494 0.75 HSD11B1 (0.48) HSD11B1CYP1A2CYP3A4CYP2C19TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback