SCHEMBL9540894

SCHEMBL9540894

Nc1c(F)c(F)cc2[nH]c(C3CC3)c(C(=O)O)c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
FOXO1 Q12778 1/20 0.32
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 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
SCHEMBL6341275 0.78 HCAR2 (0.35) HCAR2TOP2ATOP2B
SCHEMBL3872372 0.71 ALOX5 (0.38)
SCHEMBL6904417 0.71 IDO1 (0.38) HCAR2KCNH2
SCHEMBL6004835 0.70 POLB (0.34) HCAR2POLB
SCHEMBL8341388 0.68 CACNA1F (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL3870848 0.66 NPSR1 (0.41)
SCHEMBL7557799 0.65 ALDH1A1 (0.51) TOP2ATOP2B
SCHEMBL27566129 0.64 NOTUM (0.37) HCAR2POLB
SCHEMBL4237180 0.63 PADI4 (0.36) HCAR2MAPK1
SCHEMBL13469363 0.63 CA1 (0.45)

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
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed