SCHEMBL8855618

SCHEMBL8855618

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nc(C(F)(F)F)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ NOD1 Q9Y239 3/20 0.45
▸ DCTPP1 Q9H773 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 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
SCHEMBL8855562 0.91 LMNA (0.49) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL11645840 0.88 LMNA (0.42) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL11644265 0.84 MAPK1 (0.41) LMNAMAPK1TDP1SMN1; SMN2KMT2A
SCHEMBL11863391 0.83 ALDH1A1 (0.42) LMNAMAPK1DCTPP1TDP1MAPT
SCHEMBL11642612 0.83 LMNA (0.53) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL8947516 0.81 CYP3A4 (0.40) LMNAMAPK1DCTPP1TDP1KMT2A
SCHEMBL8947549 0.79 CYP3A4 (0.43) LMNAMAPK1DCTPP1TDP1KMT2A
SCHEMBL8947515 0.78 MAPK1 (0.48) LMNAMAPK1DCTPP1TDP1KMT2A
SCHEMBL8855491 0.76 DCTPP1 (0.43) LMNAMAPK1DCTPP1TDP1SMN1; SMN2
SCHEMBL8855525 0.75 PLK1 (0.53) LMNAMAPK1DCTPP1TDP1SMN1; SMN2

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 4 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-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
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