SCHEMBL4453323

SCHEMBL4453323

O=C(O)[C@H](CCS)Nc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCS1 P62166 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50

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
SCHEMBL4453326 1.00 CSNK1D (0.53) CSNK1DHDAC3HDAC4HDAC1HDAC7
SCHEMBL5827952 0.89 CSNK1D (0.56) CSNK1DHDAC3HDAC4HDAC1HDAC7
SCHEMBL13408929 0.89 CSNK1D (0.56) CSNK1DHDAC3HDAC4HDAC1HDAC7
SCHEMBL4457418 0.88 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457424 0.88 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457168 0.87 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457160 0.87 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4458533 0.84 NPC1 (0.59) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL23273787 0.84 NPC1 (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4452888 0.82 ADORA1 (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed