SCHEMBL7689966

SCHEMBL7689966

COc1ccc(-n2sc3ccccc3c2=O)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 5/20 0.56
MPI P34949 14/20 0.56
PMM2 O15305 13/20 0.56
PHOSPHO1 Q8TCT1 12/20 0.50
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 3/20 0.49
HPGD P15428 3/20 0.49
ALOX12 P18054 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
APOBEC3G Q9HC16 3/20 0.49
CASP3 P42574 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL8370795 0.87 G6PD (0.69) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL8369495 0.78 PHOSPHO1 (0.66) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL8369479 0.76 G6PD (0.65) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL21666057 0.74 PDE4A (0.66) PDE4A
SCHEMBL1896513 0.74 MPI (0.65) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL7688170 0.73 PDE4B (0.57) PDE4A
SCHEMBL8373518 0.73 MPI (0.57) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL1897990 0.73 G6PD (1.00) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL7694465 0.72 MPI (0.50) G6PDMPIPMM2PHOSPHO1RAB9A
SCHEMBL7694469 0.72 MPI (0.50) G6PDMPIPMM2PHOSPHO1RAB9A

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-2002081447-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOTHIAZOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2002-10-17 WO disclosed