SCHEMBL11854918

SCHEMBL11854918

CC(=O)On1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ LMNA P02545 2/20 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
SCHEMBL8855433 0.88 MAPT (0.40) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855627 0.85 CYP3A4 (0.43) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL11850811 0.84 MAPT (0.41) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL11853403 0.82 CYP3A4 (0.42) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855540 0.82 PLK1 (0.43) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855585 0.79 TDP1 (0.44) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855525 0.79 PLK1 (0.53) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855456 0.78 CYP3A4 (0.43) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL8855498 0.77 CYP3A4 (0.40) PLK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL11863391 0.77 ALDH1A1 (0.42) PLK1TDP1ALDH1A1CYP3A4TSHR

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 1 patent. 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 disclosed
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