SCHEMBL4079962

SCHEMBL4079962

NNC(=O)CCCCCNc1ccc(C(=O)NN)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.50
F2 P00734 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 4/20 0.49
NCOR2 Q9Y618 1/20 0.48
HDAC6 Q9UBN7 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL4081019 0.98 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4072414 0.94 MPO (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4071505 0.87 MPO (0.50) PRSS1
SCHEMBL11071683 0.83 PLK1 (0.56) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10764251 0.79 SCN5A (0.56) PRSS1HDAC3HDAC1HDAC2NCOR2
SCHEMBL960116 0.78 CYP3A4 (0.52) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL10457154 0.77 L3MBTL1 (0.61) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL4079637 0.75 L3MBTL1 (0.68)
SCHEMBL9240048 0.73 ALDH1A1 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21000000 0.73 NAMPT (0.57) PRSS1F2PRSS2PRSS3TMPRSS6

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed