SCHEMBL6576692

SCHEMBL6576692

O=S(=O)(O)C[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ABL1 P00519 1/20 0.55
LMNA P02545 1/20 0.55
GPR119 Q8TDV5 1/20 0.51
TRPV1 Q8NER1 7/20 0.50
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA4 P22748 6/20 0.50
CA7 P43166 6/20 0.50
CA9 Q16790 6/20 0.50
HRH3 Q9Y5N1 1/20 0.48
GAA P10253 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 2/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47

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
SCHEMBL756950 0.93 KDM4E (0.60) KDM4EABL1LMNAGPR119HRH3
SCHEMBL760736 0.85 KDM4E (0.52) KDM4EABL1LMNAGPR119TRPV1
SCHEMBL760738 0.85 KDM4E (0.52) KDM4EABL1LMNAGPR119TRPV1
SCHEMBL760735 0.85 KDM4E (0.52) KDM4EABL1LMNAGPR119TRPV1
SCHEMBL30549242 0.79 GPR119 (0.49) KDM4EABL1LMNAGPR119CHRM2
SCHEMBL7250781 0.79 KDM4E (0.58) KDM4EABL1LMNAGPR119TRPV1
SCHEMBL1103853 0.78 KDM4E (0.64) KDM4EABL1LMNAGPR119HRH3
SCHEMBL24008720 0.78 KDM4E (0.51) KDM4EABL1LMNATRPV1HRH3
SCHEMBL12419695 0.77 KDM4E (0.62) KDM4EABL1LMNAGPR119HRH3
SCHEMBL30233640 0.77 KDM4E (0.62) KDM4EABL1LMNAGPR119HRH3

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-1392690-A2 NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO Aventis Pharma Deutschland GmbH (DE) 2004-03-03 EP disclosed
WO-2002091988-A2 NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed