SCHEMBL6680937

SCHEMBL6680937

O=S(=O)(O)c1ccc2c3c(ccc2c1)N=CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 2/20 0.46
NT5E P21589 2/20 0.41
CYP1A2 P05177 3/20 0.39
NSD2 O96028 3/20 0.38
PTPN11 Q06124 3/20 0.38
SNCA P37840 2/20 0.38
DUSP3 P51452 2/20 0.38
PTPN5 P54829 2/20 0.38
HIF1A Q16665 2/20 0.37
TSHR P16473 1/20 0.37
PTPRA P18433 1/20 0.37
PTPRB P23467 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL633611 0.81 CASP6 (0.36) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL7554551 0.78 HTT (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2SNCA
SCHEMBL9770840 0.76 PTPN1 (0.44) HSD17B10ALDH1A1TDP1MEN1KMT2A
SCHEMBL30883035 0.74 CA1 (0.46) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL29791468 0.74 CA1 (0.46) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL17242206 0.74 CA1 (0.46) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL30233294 0.70 SNCA (0.62) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL305423 0.70 SNCA (0.62) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL300937 0.70 SNCA (0.62) CASP6HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL29565260 0.70 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2C9CYP2C19CYP1A2

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
EP-0876428-B1 SULFO BENZ e]INDOCYANINE FLUORESCENT DYES INNOSENSE S R L (IT) 2004-11-17 EP disclosed
US-6136612-A THAT CAN BE EXCITED USING INEXPENSIVE LIGHT EMITTING DIODES AND DIODE LASERS, EXHIBIT GOOD WATER SOLUBILITY, AND CAN BE CONJUGATED TO A WIDE VARIETY OF MOLECULES OR SURFACES FOR LABELING PURPOSES; USE IN IMMUNOASSAY, DNA PROBES SORIN BIOMEDICA CARDIO S.P.A. (IT) 2000-10-24 US disclosed