SCHEMBL2357409

SCHEMBL2357409

O=S1(=O)CCC(C2CC2)c2ccc(Oc3cccc(Br)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA1D P25100 1/20 0.33
KDM4E B2RXH2 2/20 0.32
VEGFA P15692 1/20 0.32
PGR P06401 1/20 0.32
GALR1 P47211 1/20 0.31
SLC10A2 Q12908 1/20 0.31

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
SCHEMBL2351722 0.90 MAOA (0.35) GRIA2ADRA1D
SCHEMBL2357565 0.88 GRIA2 (0.43) GRIA2ADRA1DGALR1SLC10A2
SCHEMBL2353940 0.86 GRIA2 (0.48) GRIA2SMN1; SMN2ADRA1DKDM4EPGR
SCHEMBL2353968 0.85 GRIA2 (0.47) GRIA2SLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL2353944 0.83 GRIA2 (0.44) GRIA2SMN1; SMN2ADRA1DSLC10A2
SCHEMBL2357699 0.82 CA1 (0.35) GALR1
SCHEMBL2352846 0.82 ADRA1D (0.42) GRIA2SLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL2353218 0.80 ADRA1D (0.46) GRIA2ADRA1DKDM4EGALR1SLC10A2
SCHEMBL2354007 0.73 MMP2 (0.46) SMN1; SMN2ADRA1D
SCHEMBL2355589 0.71 ADRA1D (0.40) GRIA2ADRA1D

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-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO claimed
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO disclosed