SCHEMBL8855562

SCHEMBL8855562

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ NOD1 Q9Y239 2/20 0.41
▸ DCTPP1 Q9H773 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL8855618 0.91 LMNA (0.54) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL11645840 0.80 LMNA (0.42) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL8733239 0.78 PLK1 (0.48) LMNAMAPK1DCTPP1TDP1SMN1; SMN2
SCHEMBL11644265 0.76 MAPK1 (0.41) LMNAMAPK1TDP1SMN1; SMN2KMT2A
SCHEMBL8855447 0.75 CYP3A4 (0.39) LMNAMAPK1TDP1SMN1; SMN2MAPT
SCHEMBL11863391 0.74 ALDH1A1 (0.42) LMNAMAPK1DCTPP1TDP1MAPT
SCHEMBL11642612 0.74 LMNA (0.53) LMNAMAPK1NOD1DCTPP1TDP1
SCHEMBL8855587 0.74 MAPT (0.36) LMNAMAPK1DCTPP1TDP1MEN1
SCHEMBL11640373 0.73 LMNA (0.38) LMNAMAPK1DCTPP1TDP1SMN1; SMN2
SCHEMBL8855513 0.72 MAPT (0.41) MAPK1TDP1SMN1; SMN2MEN1KMT2A

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-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 — — US disclosed
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