SCHEMBL8855435

SCHEMBL8855435

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 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
SCHEMBL8855415 0.87 CYP3A4 (0.42) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL8855434 0.84 MEN1 (0.45) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11645452 0.83 CYP2C9 (0.43) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11859665 0.83 CYP3A4 (0.43) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11644925 0.82 CYP3A4 (0.37) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11644928 0.82 CYP3A4 (0.37) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11643349 0.82 CYP3A4 (0.34) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11643353 0.82 CYP3A4 (0.34) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL11643098 0.82 MAPT (0.37) TDP1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL8855585 0.81 TDP1 (0.44) TDP1MAPTCYP3A4CYP2C19CYP1A2

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-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed