SCHEMBL5203369

SCHEMBL5203369

COc1cc(OB(O)O)cc(OC)c1N(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CRHR1 P34998 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ENPP2 Q13822 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
USP2 O75604 2/20 0.30

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
SCHEMBL5207796 0.78 CYP3A4 (0.52) MEN1CYP3A4KMT2ACA9CYP1A2
SCHEMBL6628469 0.78 RXFP1 (0.39) MEN1CYP3A4KMT2ACA12CA1
SCHEMBL28905844 0.77 BRD9 (0.46) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6341004 0.76 ENPP2 (0.39) CYP3A4CYP2C19CA1CA2ALDH1A1
SCHEMBL5206042 0.76 CA12 (0.35) CYP3A4CA12CA1CA2CA7
SCHEMBL5206460 0.76 CA12 (0.35) MEN1CYP3A4KMT2ACA12CA1
SCHEMBL5208181 0.74 CNKSR1 (0.35) MEN1CYP3A4KMT2ACA12CA1
SCHEMBL5203894 0.73 CYP3A4 (0.38) MEN1CYP3A4KMT2AALDH1A1USP2
SCHEMBL5235564 0.73 ERN1 (0.41) CRHR1ALDH1A1MAPTL3MBTL1ERN1
SCHEMBL2178296 0.72 CA2 (0.61) CYP3A4CYP2C19CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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