SCHEMBL7964035

SCHEMBL7964035

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
AR P10275 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7974453 0.86 NPC1 (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7964168 0.85 POLB (0.70) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL7977473 0.85 RAB9A (0.48) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7964027 0.85 POLB (0.71) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL7974397 0.84 SMN1; SMN2 (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7974298 0.83 POLB (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7980407 0.82 NPC1 (0.48) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7964041 0.82 POLB (0.47) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7963992 0.82 AR (0.50) POLBL3MBTL1RAB9ANPC1AR
SCHEMBL7964005 0.81 POLB (0.46) POLBL3MBTL1RAB9ANPC1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed