SCHEMBL29337706

SCHEMBL29337706

O=S(=O)(O)c1ccc2nc3c(cc(O)c4ccccc43)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.65
MAX P61244 1/20 0.65
NSD2 O96028 2/20 0.45
DUSP3 P51452 2/20 0.45
PTPN5 P54829 2/20 0.45
CASP6 P55212 2/20 0.45
PTPN11 Q06124 2/20 0.45
CASP7 P55210 1/20 0.45
PRMT1 Q99873 1/20 0.42
SNCA P37840 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40

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
SCHEMBL29337705 1.00 MYC (0.65) MYCMAXNSD2DUSP3PTPN5
SCHEMBL29337710 0.88 MYC (0.48) MYCMAXNSD2DUSP3PTPN5
SCHEMBL29337709 0.88 MYC (0.48) MYCMAXNSD2DUSP3PTPN5
SCHEMBL29337713 0.88 MYC (0.48) MYCMAXNSD2DUSP3PTPN5
SCHEMBL29337685 0.88 MYC (0.48) MYCMAXNSD2DUSP3PTPN5
SCHEMBL29460076 0.82 ALDH1A1 (0.48) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL20584147 0.82 ALDH1A1 (0.48) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL29737179 0.80 MYC (1.00) MYCMAXCYP1A2KMT2AALDH1A1
SCHEMBL9602182 0.80 HDAC6 (0.51) CASP6SNCATDP1HSD17B10CYP2C19
SCHEMBL14328958 0.80 MYC (1.00) MYCMAXCYP1A2KMT2AALDH1A1

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-20240243319-A1 AQUEOUS ELECTROLYTE, SALTS USED THEREIN, AND REDOX FLOW BATTERY USING SAID AQUEOUS ELECTROLYTE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-18 US disclosed