SCHEMBL23905295

SCHEMBL23905295

COC(=O)/C(=C/c1cncc(F)c1)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
RECQL P46063 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.36
PADI4 Q9UM07 5/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
KDM1A O60341 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL23904777 0.83 MTNR1A (0.33) HCAR2LMNAMAPTSMN1; SMN2
SCHEMBL23905507 0.83 APP (0.47) RECQLAGBL2MAPTSMN1; SMN2PTGS2
SCHEMBL2171291 0.78 MEN1 (0.50) RECQLLMNAMAPT
SCHEMBL2171297 0.78 MEN1 (0.50) RECQLLMNAMAPT
SCHEMBL1915837 0.72 RECQL (0.69) RECQLMAPT
SCHEMBL1915838 0.72 RECQL (0.69) RECQLMAPT
SCHEMBL1915834 0.72 RECQL (0.69) RECQLMAPT
SCHEMBL7132118 0.70 RECQL (0.51) RECQLLMNAMAPT
SCHEMBL7617840 0.69 GSK3B (0.50) RECQLLMNAMAPTSMN1; SMN2HDAC1
SCHEMBL17255821 0.69 KDM4E (0.50) HCAR2PADI4MAPTSMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed