SCHEMBL6304709

SCHEMBL6304709

S=CNc1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
C1R P00736 1/20 0.31
MGLL Q99685 1/20 0.30
GRIK1 P39086 1/20 0.30

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
SCHEMBL8764228 0.82 ALDH1A1 (0.35)
SCHEMBL31398340 0.76 TSHR (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1703166 0.76 TSHR (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5635779 0.73 GAA (0.47)
SCHEMBL1268881 0.71 ALDH1A1 (0.47)
SCHEMBL3166136 0.71 SMN1; SMN2 (0.45)
SCHEMBL11289154 0.71 MAPT (0.48)
SCHEMBL1686520 0.71 C1R (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8763185 0.70 HSPA5 (0.41)
SCHEMBL19548224 0.69

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-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US claimed