SCHEMBL11047112

SCHEMBL11047112

O=C(O)c1ccc(CCC2CCCCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.56
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL11047663 0.98 P4HTM (0.58) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL19556485 0.92 P4HTM (0.61) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL11061928 0.87 KDM4E (0.60) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL11059897 0.85 KDM4E (0.56) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL11045319 0.85 KDM4E (0.56) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL12420688 0.77 NFE2L2 (0.52) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL11061422 0.76 P4HTM (0.59) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL4870118 0.75 LNPEP (0.46) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28108319 0.74 P4HTM (0.71) P4HTMKDM4EKMT2AHIF1ATDP1
SCHEMBL19555927 0.73 KDM4E (0.40) P4HTMKDM4EKMT2AHIF1ATDP1

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-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed