SCHEMBL5208181

SCHEMBL5208181

COc1cc(OB(O)O)cc(OC)c1SC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNKSR1 Q969H4 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL28275876 0.81 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6628469 0.79 RXFP1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL5207796 0.79 CYP3A4 (0.52) CA9MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL5206042 0.78 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL5206460 0.78 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL5623782 0.78 ENPP2 (0.39) CNKSR1CA1CA2MAPTPRKDC
SCHEMBL5203369 0.74 MEN1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL2178296 0.73 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5207737 0.73 ALDH1A1 (0.58) CA1CA2MAPTCYP1A1CYP1A2
SCHEMBL5208701 0.73 ALDH1A1 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
Send feedback