SCHEMBL6378385

SCHEMBL6378385

COC(=O)c1cnc(OS(=O)(=O)C(F)(F)F)c(Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
GABRA5 P31644 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL6377584 0.85 BCL2 (0.42) LMNAMRGPRX4KDM4EALDH1A1TDP1
SCHEMBL6377477 0.84 LMNA (0.48) NR1H2NR1H3LMNAHPGDGABRA5
SCHEMBL16318860 0.79 MAPK1 (0.33) NR1H2NR1H3GABRA5KDM4EMAPK1
SCHEMBL6376259 0.79 NR1H2 (0.34) NR1H2NR1H3LMNAALDH1A1
SCHEMBL27580436 0.78 MAOB (0.41) LMNAHPGDMAPK1L3MBTL1MAPT
SCHEMBL6378169 0.77 LMNA (0.51) NR1H2NR1H3LMNAHPGDKDM5B
SCHEMBL543939 0.75 NOTUM (0.44) LMNAHPGDMRGPRX4PDGFRBKDR
SCHEMBL6382788 0.74 MRGPRX4 (0.45) MRGPRX4TSHRNFKB1
SCHEMBL9909284 0.72 NOTUM (0.36) NR1H2NR1H3LMNAHPGDKDM4E
SCHEMBL89330 0.72 LMNA (0.55) LMNAHPGDMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed