SCHEMBL7964019

SCHEMBL7964019

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 5/20 0.58
HCRTR1 O43613 8/20 0.51
HCRTR2 O43614 8/20 0.51
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APEX1 P27695 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL7963947 0.83 RAB9A (0.70) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL7977556 0.81 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL7964027 0.80 POLB (0.71) RAB9ANPC1ALDH1A1POLBCTDSP1
SCHEMBL7964168 0.79 POLB (0.70) RAB9ANPC1ALDH1A1POLBCTDSP1
SCHEMBL7977587 0.79 NPC1 (0.58) SMN1; SMN2RAB9AHCRTR1NPC1ALDH1A1
SCHEMBL7974288 0.79 KMT2A (0.65) SMN1; SMN2RAB9AHCRTR1NPC1ALDH1A1
SCHEMBL7974434 0.78 POLB (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL7977631 0.77 CYP1A2 (0.52) SMN1; SMN2RAB9AHCRTR1HCRTR2NPC1
SCHEMBL7977633 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL7974500 0.75 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1

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