SCHEMBL7654949

SCHEMBL7654949

O=S(=O)(N=C1NCCCN1Cc1ccc(Cl)nc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 3/20 0.54
CHRNA7 P36544 3/20 0.54
CHRNA3 P32297 2/20 0.54
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL7667761 0.95 ALDH1A1 (0.52) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7667758 0.95 ALDH1A1 (0.52) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7665999 0.92 CHRNA1 (0.53) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7665043 0.86 SMN1; SMN2 (0.50) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7665049 0.86 SMN1; SMN2 (0.50) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7664381 0.86 CHRNA1 (0.54) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL6323463 0.81 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL6323459 0.81 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL7665988 0.80 ALDH1A1 (0.52) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL676764 0.79 CHRNA1 (0.66) CHRNA1CHRNA7CHRNA3ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465492-B1 SUCH AS 2-((4-METHYLPHENYL)SULFONYLIMINO) IMIDAZOLIDINE; PESTICIDES; KILLING INSECTS ON PLANTS SINON CORPORATION (TW) 2002-10-15 US disclosed