SCHEMBL12464403

SCHEMBL12464403

CC(C)(C)c1ccc2c(c1)C(=O)N(CCCCCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA9 Q16790 4/20 0.58
CA2 P00918 3/20 0.58
CA4 P22748 1/20 0.58
CA12 O43570 3/20 0.53
CHRM2 P08172 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.46
PLA2G1B P04054 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL20306714 0.90 CA9 (0.55) CA1CA9CA2CA4CA12
SCHEMBL15043752 0.87 CA9 (0.58) CA1CA9CA2CA4CA12
SCHEMBL19254187 0.84 KDM4E (0.55) CA1CA9CA2CA4KDM4E
SCHEMBL12235644 0.83 CA9 (0.56) CA1CA9CA2CA4CA12
SCHEMBL22022263 0.82 CA9 (0.53) CA1CA9CA2CA4CA12
SCHEMBL19209393 0.81 HSD17B10 (0.55) CA1CA9CA2CA4CA12
SCHEMBL15043753 0.80 NR1H3 (0.58) CA1CA9CA2CA4CA12
SCHEMBL4473452 0.79 CA9 (0.52) CA1CA9CA2CA4CA12
SCHEMBL6230240 0.79 CA9 (0.52) CA1CA9CA2CA4CA12
SCHEMBL15043754 0.78 CASP3 (0.51) CA1CA9CA2CA4CA12

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-2005500-B1 ORGANIC ELECTRONIC DEVICES USING PHTHALIMIDE COMPOUNDS UNIV SOUTHERN CALIFORNIA (US) 2011-07-06 EP disclosed