SCHEMBL11854099

SCHEMBL11854099

O=[N+]([O-])c1cc(Cl)cc2c1nc(C(F)(F)C(F)F)n2O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL8733239 0.85 PLK1 (0.48) DCTPP1MAPTALDH1A1CYP3A4HIF1A
SCHEMBL11685455 0.73 CREBBP (0.45) DCTPP1MAPTALDH1A1HIF1AMEN1
SCHEMBL8855525 0.73 PLK1 (0.53) DCTPP1MAPTALDH1A1CYP3A4HIF1A
SCHEMBL8855422 0.72 PLK1 (0.50) DCTPP1MAPTALDH1A1CYP3A4HIF1A
SCHEMBL11187021 0.70 HTT (0.36) MAPTALDH1A1CYP3A4HIF1AMEN1
SCHEMBL11860634 0.69 PLK1 (0.39) DCTPP1ALDH1A1CYP3A4HIF1AHPGD
Phenol SCHEMBL11641805 0.68 DCTPP1 (0.40) DCTPP1MAPTALDH1A1CYP3A4HIF1A
SCHEMBL8855447 0.68 CYP3A4 (0.39) MAPTALDH1A1CYP3A4HIF1ACYP1A2
SCHEMBL8855513 0.68 MAPT (0.41) MAPTALDH1A1CYP3A4HIF1AMEN1
SCHEMBL11641799 0.67 OGT (0.40) DCTPP1MAPTALDH1A1CYP3A4HIF1A

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-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — US disclosed
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