SCHEMBL4598601

SCHEMBL4598601

NC(=O)c1ccc(O)cc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CES2 O00748 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LCK P06239 1/20 0.38
SCN9A Q15858 2/20 0.38
CAMKK2 Q96RR4 1/20 0.38
GFER P55789 1/20 0.38
PARP1 P09874 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL29490978 0.93 KDM4E (0.50) KDM4EMAPTMEN1KMT2ACES2
SCHEMBL3658942 0.85 KDM4E (0.45) KDM4EMAPTMEN1KMT2ACES2
SCHEMBL29655541 0.83 CA12 (0.53) MAPTCES2ALDH1A1TSHRCA12
SCHEMBL2976585 0.81 KDM4E (0.41) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL30313698 0.81 MAPT (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5297499 0.81 MAPT (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1740214 0.80 PTGDR2 (0.42) KDM4EMAPTMEN1KMT2ACES2
SCHEMBL2946563 0.80 PTGDR2 (0.42) KDM4EMAPTMEN1KMT2ACAMKK2
Hydrochloric Acid SCHEMBL5614018 0.79 PTGDR2 (0.41) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL3660553 0.79 KDM4E (0.50) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101230033-B New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB 2011-03-09 CN disclosed
CN-100577160-C Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB 2010-01-06 CN disclosed
CN-101230033-A New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB (FR) 2008-07-30 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
CN-1921848-A Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-02-28 CN disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed