SCHEMBL28290109

SCHEMBL28290109

COS(=O)(=O)CCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.40
S100A4 P26447 1/20 0.40
TXNRD1 Q16881 2/20 0.39
CYP19A1 P11511 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL28669190 0.83 TDP1 (0.52) TDP1ALDH1A1F2PRSS1PRSS2
SCHEMBL7783117 0.79 GPR35 (0.47) TDP1ALDH1A1F2PRSS1PRSS2
SCHEMBL17319424 0.74 TDP1 (0.54) TDP1ALDH1A1TSHRSMN1; SMN2GPR35
SCHEMBL24541236 0.71 TSHR (0.53) TSHRMAPTRAB9A
SCHEMBL2287025 0.71 ALDH1A1 (0.53) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL28290110 0.71 TDP1 (0.46) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5711756 0.71 TDP1 (0.46) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL7783317 0.71 ALDH1A1 (0.49) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL6118566 0.71 TDP1 (0.50) TDP1ALDH1A1F2PRSS1PRSS2
SCHEMBL11297092 0.71 TDP1 (0.50) TDP1ALDH1A1TSHRMEN1KMT2A

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
CN-109575676-A The preparation method of photosensitive-ink for 3D glass and preparation method thereof and light sensitive layer 湖南松井新材料股份有限公司 2019-04-05 CN claimed
CN-109575676-A The preparation method of photosensitive-ink for 3D glass and preparation method thereof and light sensitive layer 湖南松井新材料股份有限公司 2019-04-05 CN disclosed