SCHEMBL8855484

SCHEMBL8855484

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 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
NPSR1 Q6W5P4 1/20 0.44
PTPN5 P54829 1/20 0.41
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CACNA1H O95180 2/20 0.37
CACNA1C Q13936 2/20 0.37

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
SCHEMBL8855614 0.99 MAPT (0.52) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL11644077 0.97 MAPT (0.51) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL8855536 0.89 CYP3A4 (0.49) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL8855544 0.89 MAPT (0.46) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL8736222 0.87 MAPT (0.44) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL11644078 0.86 HPGD (0.40) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL8855571 0.83 HTT (0.47) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL2418755 0.83 CYP3A4 (0.55) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL11180568 0.82 ALDH1A1 (0.40) MAPTCYP3A4HPGDALDH1A1TSHR
SCHEMBL8855556 0.81 ALDH1A1 (0.45) MAPTCYP3A4HPGDALDH1A1TSHR

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-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed