SCHEMBL9449199

SCHEMBL9449199

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL9449279 0.87 SNCA (0.46) SNCAMEN1KMT2AGAAGFER
SCHEMBL1171141 0.85 HSD11B1 (0.50) KMT2AMAPTPOLBALDH1A1TSHR
SCHEMBL9015268 0.81 ALDH1A1 (0.46) MEN1KMT2AGAACA12CA1
SCHEMBL7643653 0.81 PTPRB (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL10792092 0.81 CA2 (0.47) MEN1KMT2AGAACA12CA1
SCHEMBL8815803 0.79 KMT2A (0.44) MEN1KMT2AGAACA12CA1
SCHEMBL10536190 0.79 ALDH1A1 (0.56) MEN1KMT2AGAAGFERCA12
SCHEMBL11134861 0.79 SNCA (0.40) SNCAMEN1KMT2AGAAMAPT
SCHEMBL11134858 0.79 SNCA (0.40) SNCAMEN1KMT2AGAAMAPT
SCHEMBL9401757 0.79 FABP4 (0.51) SNCAMEN1KMT2AGAAGFER

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-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed