SCHEMBL8855415

SCHEMBL8855415

CC(=O)n1c(C(F)(F)F)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 5/20 0.39
HPD P32754 1/20 0.39
STAT3 P40763 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL8855435 0.87 TDP1 (0.44) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11859665 0.86 CYP3A4 (0.43) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL8855430 0.83 CYP3A4 (0.43) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL8855540 0.80 PLK1 (0.43) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL8855434 0.80 MEN1 (0.45) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11645452 0.80 CYP2C9 (0.43) CYP3A4ALDH1A1TDP1HPGDCYP2C19
SCHEMBL11644928 0.79 CYP3A4 (0.37) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11644925 0.79 CYP3A4 (0.37) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11643353 0.78 CYP3A4 (0.34) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11643349 0.78 CYP3A4 (0.34) CYP3A4ALDH1A1TDP1TSHRHPGD

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