SCHEMBL8930368

SCHEMBL8930368

O=C(O)Cc1ccc(I)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
RGS12 O14924 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
CA5A P35218 1/20 0.44
ALDH1A1 P00352 5/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL8930398 0.81 HPGD (0.61) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL8930262 0.79 POLB (0.51) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL8930341 0.79 CA2 (0.54) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL4549635 0.76 POLB (0.35) HPGDHSD17B10LMNAPOLBHIF1A
SCHEMBL8930353 0.76 CA5A (0.67) GAAHSD17B10TSHRMAPTNFKB1
SCHEMBL16114045 0.74 HPGD (0.68) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL29126689 0.73 HPGD (0.50) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL20859228 0.73 GAA (0.50) GAAKDM4EHPGDHSD17B10TSHR
SCHEMBL359489 0.73 CDC25B (0.50) GAAKDM4ETSHRMAPTTDP1
SCHEMBL2312541 0.73 CA2 (0.65) GAAKDM4EHPGDHSD17B10TSHR

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-5665150-A Dye and ink compositions XEROX CORPORATION (US) 1997-09-09 US disclosed