SCHEMBL10700952

SCHEMBL10700952

Cc1c([N+](=O)[O-])cccc1S([O])(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HSD17B10 Q99714 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
GPR35 Q9HC97 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9356245 0.85 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6616502 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL29452202 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1807309 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10742167 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6616509 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL3130598 0.81 TDP1 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10482176 0.81 TDP1 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL237684 0.80 KMT2A (0.73) TDP1KMT2AMEN1F2PRSS1
SCHEMBL27609739 0.80 TDP1 (0.56) TDP1TSHRSMN1; SMN2KMT2AMEN1

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-0295842-A1 Saccharoascorbic acid esters, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1988-12-21 EP disclosed