SCHEMBL9830599

SCHEMBL9830599

COc1ccccc1-c1nc(-c2ccccc2C(F)(F)F)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.50
PDE2A O00408 2/20 0.47
PDE10A Q9Y233 2/20 0.47
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
S1PR1 P21453 1/20 0.44
TRPA1 O75762 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MAPT P10636 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
PTGS2 P35354 1/20 0.42
ALPL P05186 1/20 0.42

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
SCHEMBL9830541 0.89 HSD11B1 (0.58) HSD11B1TSHRHSD17B10CYP1A2CYP3A4
SCHEMBL9830395 0.88 HSD11B1 (0.66) HSD11B1PDE2APDE10AS1PR1TRPA1
SCHEMBL9832170 0.85 HSD11B1 (0.54) HSD11B1TSHRHSD17B10CYP1A2CYP3A4
SCHEMBL9830814 0.85 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9829855 0.83 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9829823 0.82 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9832353 0.82 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL9705543 0.82 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9831027 0.82 HSD11B1 (0.50) HSD11B1TSHRHSD17B10CYP1A2CYP3A4
SCHEMBL9829686 0.81 HSD11B1 (0.50) HSD11B1TSHRHSD17B10CYP1A2CYP3A4

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