SCHEMBL5874356

SCHEMBL5874356

O=C(ON1CCNCC1)C(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CHKA P35790 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 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
SCHEMBL1642934 0.81 CA2 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL6094386 0.80 CHRM5 (0.33) CHRM5CHRM3
SCHEMBL5874892 0.79 CHRM5 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL5875199 0.78 ALDH1A1 (0.32)
SCHEMBL11219359 0.78 CHRM5 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL27173938 0.76 CHRM5 (0.36) CA2CA12CA1CA9CHKA
SCHEMBL5875153 0.75 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL5874622 0.75 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL27364958 0.73 CHRM5 (0.38) CA2CA12CA1CA9CHRM5
SCHEMBL4958163 0.73 CA2 (0.39) CA2CA12CA1CA9CHKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4146454-A EXCITATION, MOBILIZERS, INITIATORS HABER INSTRUMENTS, INC. (US) 1979-03-27 US disclosed