SCHEMBL21580165

SCHEMBL21580165

O=C(NCc1ccc(O)cc1)c1ccc2cncn2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.69
HDAC1 Q13547 2/20 0.65
MLLT1 Q03111 9/20 0.48
TBXAS1 P24557 1/20 0.46
MLLT3 P42568 4/20 0.46
YEATS2 Q9ULM3 1/20 0.44
ROCK2 O75116 1/20 0.43
KDM1A O60341 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL173739 0.82 NAMPT (1.00) NAMPTHDAC1
SCHEMBL21580105 0.79 NAMPT (0.59) NAMPTHDAC1MLLT1MLLT3SMN1; SMN2
SCHEMBL21580117 0.77 NAMPT (0.55) NAMPTHDAC1MLLT1
SCHEMBL9416580 0.76 HDAC6 (0.64) HDAC1KDM1ASMN1; SMN2
SCHEMBL30147831 0.76 NAMPT (0.52) NAMPTHDAC1TBXAS1SMN1; SMN2
SCHEMBL31047579 0.74 NAAA (0.56) NAMPTHDAC1TBXAS1SMN1; SMN2L3MBTL1
SCHEMBL31047551 0.74 NAAA (0.56) NAMPTHDAC1TBXAS1SMN1; SMN2L3MBTL1
SCHEMBL4503327 0.72 MMP13 (0.69) ROCK2SMN1; SMN2L3MBTL1
SCHEMBL21580036 0.72 NAMPT (0.52) NAMPTHDAC1ROCK2
SCHEMBL29683753 0.71 HDAC1 (0.48) NAMPTHDAC1MLLT1TBXAS1

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-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 WO disclosed