SCHEMBL4382055

SCHEMBL4382055

COc1ccc2c(OC)ccc(-c3nc(C(Cl)Cl)nc(C(Cl)Cl)n3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 3/20 0.38
CYP17A1 P05093 3/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
DHFR P00374 1/20 0.37
ADORA3 P0DMS8 4/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
NQO1 P15559 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL267816 0.80 NPC1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL29860079 0.80 NPC1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL4947060 0.74 PPARG (0.42) NPC1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6678654 0.68 CYP1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL15265094 0.67 ERN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL19595037 0.67 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL15266286 0.65 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1402585 0.65 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1402590 0.65 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1402343 0.65 CA12 (0.52) CA12CA1CA2CA7CA9

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
EP-2120094-A2 Black photosensitive resin composition, and color filter and method of producing the same Fujifilm Corporation (JP) 2009-11-18 EP disclosed