SCHEMBL8855402

SCHEMBL8855402

CC(C)OC(=O)n1c(C(F)(F)C(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.36
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
P2RX1 P51575 2/20 0.34
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8855467 0.92 PLK1 (0.39) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855513 0.90 MAPT (0.41) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855512 0.89 ALDH1A1 (0.38) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855595 0.88 CYP3A4 (0.37) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855440 0.85 MAPK1 (0.35) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855582 0.82 ESR1 (0.39) PLK1MAPTTDP1MEN1PKM
SCHEMBL11639512 0.82 CYP3A4 (0.37) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855587 0.81 MAPT (0.36) PLK1MAPTTDP1MEN1KMT2A
SCHEMBL8855585 0.80 TDP1 (0.44) PLK1MAPTTDP1MEN1PKM
SCHEMBL8855500 0.80 CETP (0.36) PLK1MAPTTDP1MEN1PKM

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
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US claimed
US-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed