SCHEMBL16252121

SCHEMBL16252121

CCCCCCCCCCNS(=O)(=O)CCc1cc(C)oc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.42
PPARA Q07869 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL16252132 0.76 POLB (0.46) RELAPPARALMNAMAPK1HTT
SCHEMBL16252139 0.76 RELA (0.42) RELAPPARACA1CA2LMNA
SCHEMBL16252173 0.76 RELA (0.42) RELAPPARACA1CA2LMNA
SCHEMBL16252117 0.76 RELA (0.42) RELAPPARACA1CA2LMNA
SCHEMBL7688181 0.70 RELA (0.61) RELAPPARACA1CA2EPHX1
SCHEMBL7685651 0.70 RELA (0.71) RELAPPARACA1CA2EPHX1
SCHEMBL7694320 0.70 RELA (0.71) RELAPPARACA1CA2EPHX1
SCHEMBL10596044 0.70 RELA (0.66) RELAPPARACA1CA2EPHX1
SCHEMBL9609767 0.70 RELA (0.71) RELAPPARACA1CA2EPHX1
SCHEMBL8468160 0.70 RELA (0.71) RELAPPARACA1CA2EPHX1

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
US-20140338750-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 US disclosed