SCHEMBL8855525

SCHEMBL8855525

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ MAPT P10636 6/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ PTPN5 P54829 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 3/20 0.39

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
SCHEMBL8855422 0.91 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8733239 0.89 PLK1 (0.48) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11685455 0.86 CREBBP (0.45) PLK1ALDH1A1TDP1TSHRHPGD
SCHEMBL22954616 0.83 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29517736 0.83 PLK1 (0.50) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855540 0.82 PLK1 (0.43) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855627 0.80 CYP3A4 (0.43) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11863391 0.79 ALDH1A1 (0.42) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11854918 0.79 PLK1 (0.41) PLK1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8855585 0.79 TDP1 (0.44) 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 3 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
US-3939166-A INSECTICIDE ELI LILLY AND COMPANY (US) 1976-02-17 — — US disclosed
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