SCHEMBL11045604

SCHEMBL11045604

[CH2]C(=O)c1ccc(CC2CCCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CHEK2 O96017 1/20 0.39
P4HTM Q9NXG6 2/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.38
GCK P35557 1/20 0.38
ASPH Q12797 1/20 0.37
RIOX2 Q8IUF8 1/20 0.37
KDM8 Q8N371 1/20 0.37
BRS3 P32247 2/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL11045319 0.86 KDM4E (0.56) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL11059897 0.86 KDM4E (0.56) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL24798653 0.82 LTA4H (0.37) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL11049864 0.81 MAPK1 (0.49) KDM4EKMT2ATDP1L3MBTL1HDAC6
SCHEMBL11061422 0.78 P4HTM (0.59) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL27975171 0.76 VNN1 (0.44) KDM4EKMT2AHIF1ATDP1L3MBTL1
SCHEMBL21394688 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HDAC6RAB9ANPC1GCK
SCHEMBL21241330 0.72 PDE9A (0.41) SMN1; SMN2GCKLTA4H
SCHEMBL21384000 0.72 FEN1 (0.44) LTA4H
SCHEMBL11047112 0.72 P4HTM (0.56) SMN1; SMN2KDM4EGLAHTTKMT2A

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