SCHEMBL6280199

SCHEMBL6280199

CCCC(C)c1ccc([S+](c2ccc(C(C)CCC)cc2)c2ccc(C(C)CCC)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIA4 P48058 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5421248 0.84 MEN1 (0.36) MEN1KMT2AGRIA4SMN1; SMN2
SCHEMBL5408503 0.83 KAT6A (0.35) CA12CA2CA9SMN1; SMN2
SCHEMBL5412191 0.78 KAT6A (0.38) CA12CA2CA9MEN1KMT2A
SCHEMBL5403705 0.77 CA2 (0.44) CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5408516 0.77 CA2 (0.41) CA2KMT2A
SCHEMBL5408495 0.75 GAA (0.38) CA12CA2CA9KMT2ASMN1; SMN2
SCHEMBL5403721 0.73 CA2 (0.40) CA12CA2CA9KMT2A
SCHEMBL5408941 0.72 CA2 (0.37) CA12CA2
SCHEMBL5421312 0.72 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL5419102 0.71 CA2 (0.42) CA12CA2CA9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed