SCHEMBL8855554

SCHEMBL8855554

C=CCOC(=O)n1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
PLK1 P53350 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
MAPT P10636 3/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL8855506 0.93 TDP1 (0.36) MAPK1LMNARAB9APLK1TDP1
SCHEMBL8855440 0.91 MAPK1 (0.35) MAPK1LMNARAB9APLK1TDP1
SCHEMBL8855498 0.87 CYP3A4 (0.40) MAPK1LMNAPLK1TDP1CYP3A4
SCHEMBL11640778 0.84 PLK1 (0.38) MAPK1LMNAPLK1TDP1CYP3A4
SCHEMBL8855527 0.83 CYP3A4 (0.41) MAPK1LMNAPLK1TDP1CYP3A4
SCHEMBL8855585 0.83 TDP1 (0.44) MAPK1PLK1TDP1CYP3A4ALDH1A1
SCHEMBL8855467 0.82 PLK1 (0.39) MAPK1LMNAPLK1TDP1CYP3A4
SCHEMBL11639519 0.82 PLK1 (0.36) MAPK1LMNAPLK1TDP1CYP3A4
SCHEMBL8855459 0.82 DCTPP1 (0.40) MAPK1LMNARAB9APLK1CYP3A4
SCHEMBL8855495 0.81 ESR1 (0.42) MAPK1LMNAPLK1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US claimed
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-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 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