SCHEMBL11645840

SCHEMBL11645840

O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nc(C(F)(F)F)n2S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ DCTPP1 Q9H773 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CXCR5 P32302 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NFKBIA P25963 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36

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 0.88 LMNA (0.54) LMNAMAPK1DCTPP1SMN1; SMN2MEN1
SCHEMBL8855562 0.80 LMNA (0.49) LMNAMAPK1DCTPP1SMN1; SMN2MEN1
SCHEMBL11863391 0.79 ALDH1A1 (0.42) LMNAMAPK1DCTPP1TDP1NFKBIA
SCHEMBL11644265 0.78 MAPK1 (0.41) LMNAMAPK1SMN1; SMN2KMT2ATDP1
SCHEMBL8947516 0.76 CYP3A4 (0.40) LMNAMAPK1DCTPP1KMT2ATDP1
SCHEMBL8947549 0.74 CYP3A4 (0.43) LMNAMAPK1DCTPP1KMT2ATDP1
SCHEMBL11642612 0.72 LMNA (0.53) LMNAMAPK1DCTPP1SMN1; SMN2MEN1
SCHEMBL8947515 0.72 MAPK1 (0.48) LMNAMAPK1DCTPP1KMT2ATDP1
SCHEMBL8855525 0.71 PLK1 (0.53) LMNAMAPK1DCTPP1SMN1; SMN2MEN1
SCHEMBL8855540 0.70 PLK1 (0.43) LMNAMAPK1DCTPP1TDP1ALDH1A1

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-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 — — US disclosed
Send feedback