SCHEMBL8855422

SCHEMBL8855422

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nc(C(F)(F)Cl)n2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ MAPT P10636 6/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.39
▸ PTPN5 P54829 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL8855525 0.91 PLK1 (0.53) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8733239 0.85 PLK1 (0.48) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11860634 0.83 PLK1 (0.39) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855456 0.81 CYP3A4 (0.43) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855420 0.81 CYP3A4 (0.39) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855512 0.80 ALDH1A1 (0.38) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29517736 0.80 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL22954616 0.80 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855552 0.79 MEN1 (0.43) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855506 0.78 TDP1 (0.36) PLK1ALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — US disclosed
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