SCHEMBL9685728

SCHEMBL9685728

COc1ccc(Cc2ccc3[nH]c(=O)sc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
HTR1A P08908 4/20 0.46
HTR2C P28335 4/20 0.46
PSMB8 P28062 1/20 0.45
LTA4H P09960 1/20 0.45
SLC2A1 P11166 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
IDH1 O75874 1/20 0.42
PTPN5 P54829 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MPI P34949 1/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL9686038 0.83 ALDH1A1 (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL1848088 0.82 PDE3B (1.00) PDE3BPDE3APSMB8SMN1; SMN2MAPT
SCHEMBL9685980 0.82 SMN1; SMN2 (0.55) PDE3BPDE3AHTR1AHTR2CSMN1; SMN2
SCHEMBL9205683 0.81 HTR1A (0.53) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9685648 0.80 CMA1 (0.56) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9685722 0.80 PDE3B (0.76) PDE3BPDE3APSMB8SMN1; SMN2MAPT
SCHEMBL7761677 0.79 PDE3B (0.56) PDE3BPDE3AHTR1AHTR2CSLC2A1
SCHEMBL27318309 0.79 PDE3B (0.56) PDE3BPDE3AHTR1AHTR2CPSMB8
SCHEMBL20777399 0.77 GAA (0.51) LTA4HSLC2A1PTPN5SAE1UBA2
SCHEMBL30832803 0.77 GAA (0.51) LTA4HSLC2A1PTPN5SAE1UBA2

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed