SCHEMBL9830541

SCHEMBL9830541

Cn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.58
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
TRPA1 O75762 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45

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
SCHEMBL9832170 0.95 HSD11B1 (0.54) HSD11B1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL9831027 0.92 HSD11B1 (0.50) HSD11B1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL9830814 0.92 HSD11B1 (0.54) HSD11B1TRPA1NPC1RAB9ANR1H2
SCHEMBL9829686 0.91 HSD11B1 (0.50) HSD11B1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL9829855 0.91 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9705543 0.90 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9832353 0.90 HSD11B1 (0.51) HSD11B1TRPA1NPC1RAB9ANR1H2
SCHEMBL9829823 0.90 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830823 0.90 HSD11B1 (0.62) HSD11B1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL9830599 0.89 HSD11B1 (0.50) HSD11B1CYP1A2CYP3A4TSHRCYP2C19

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
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US 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