SCHEMBL8736222

SCHEMBL8736222

O=[N+]([O-])c1cc(C(F)(F)F)cc2[nH]c(C(F)(F)C(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.38
MAPK1 P28482 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1C Q13936 2/20 0.34
CACNA1B Q00975 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11175786 0.90 CYP3A4 (0.35) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8855614 0.88 MAPT (0.52) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL11644077 0.87 MAPT (0.51) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8855484 0.87 MAPT (0.51) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL11179297 0.85 MAPT (0.33) MAPTALDH1A1CYP3A4TSHRHPGD
SCHEMBL11183105 0.85 MAPT (0.33) MAPTALDH1A1CYP3A4TSHRHPGD
SCHEMBL11187021 0.85 HTT (0.36) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8855536 0.84 CYP3A4 (0.49) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8855544 0.84 MAPT (0.46) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8855556 0.82 ALDH1A1 (0.45) MAPTALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635490-A ADMINISTERING POLYETHER ANTIBIOTIC AND BENZIMIDAZOLE DERIVATIVE ELI LILLY AND COMPANY (US) 1997-06-03 US claimed
EP-0113945-A1 Amine salts ELI LILLY AND COMPANY (US) 1984-07-25 EP claimed
US-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 US claimed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US claimed
EP-4225921-A1 METHODS FOR X CHROMOSOME REACTIVATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-16 EP disclosed
WO-2022076529-A1 METHODS FOR X CHROMOSOME REACTIVATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed
EP-0821953-A2 Anticoccidial methods and feedstuffs ELI LILLY AND COMPANY (US) 1998-02-04 EP disclosed
EP-0616806-A1 Phenylenediamine or benzimidazole derivatives for treating coccidiosis ELI LILLY AND COMPANY (US) 1994-09-28 EP disclosed
EP-0113945-A1 Amine salts ELI LILLY AND COMPANY (US) 1984-07-25 EP disclosed
US-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 US disclosed
EP-0031699-A1 Benzimidazoline salts, their preparation and compositions containing them ELI LILLY AND COMPANY (US) 1981-07-08 EP disclosed
US-4265901-A HERBICIDES, INSECTICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1981-05-05 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed