SCHEMBL5875307

SCHEMBL5875307

O=C(ON1CCNCC1)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL10787630 0.86 ALDH1A1 (0.32)
SCHEMBL27473154 0.81 SIGMAR1 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL2728754 0.81 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL5875413 0.80 MEN1 (0.32) CA2CHKA
Hydrochloric Acid SCHEMBL27722005 0.79 HPGD (0.37) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL7098403 0.79 HPGD (0.37) CA2CA12CA1CA9CHKA
SCHEMBL3312069 0.77 SMN1; SMN2 (0.40) CA12CA1CA9
SCHEMBL5875153 0.77 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL5874622 0.77 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL28055961 0.75 CA2 (0.33) 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 2 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