SCHEMBL1917482

SCHEMBL1917482

O=S(=O)(O)CC1CCNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.40
▸ F12 P00748 11/20 0.36
▸ F2 P00734 3/20 0.36
▸ BDKRB1 P46663 1/20 0.34
▸ CCKBR P32239 2/20 0.34

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
SCHEMBL6648615 0.82 BCHE (0.50) BCHEF12F2CCKBR
SCHEMBL6332268 0.78 BCHE (0.44) BCHEF12CCKBR
SCHEMBL8367985 0.76 EGFR (0.45) BCHEBDKRB1CCKBR
SCHEMBL21494400 0.76 F12 (0.36) F12F2BDKRB1
SCHEMBL5500008 0.75 HSD17B10 (0.41) BCHEF12F2BDKRB1
SCHEMBL10841290 0.75 BCHE (0.44) BCHEF12F2CCKBR
SCHEMBL3693863 0.75 BCHE (0.44) BCHEF12CCKBR
SCHEMBL1064820 0.74 BCHE (0.41) BCHEF12F2CCKBR
SCHEMBL9586168 0.74 EGFR (0.48) BCHE
SCHEMBL3694236 0.73 BCHE (0.39) BCHEBDKRB1CCKBR

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
EP-2332918-A1 Sulfonamide derivatives of polycyclic dyes for analytical applications ATTO-TEC GmbH (DE) 2011-06-15 — — EP disclosed
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