SCHEMBL20852435

SCHEMBL20852435

NC(Cc1cc(O)c(OCCSF)c(O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ SLC7A5 Q01650 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PCNA P12004 2/20 0.45
▸ THRB P10828 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43

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
SCHEMBL10305077 0.85 ADORA3 (0.53) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL18401480 0.82 ADORA3 (0.53) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL20852606 0.82 HSD17B10 (0.53) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL20852442 0.78 ITGB3 (0.64) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL29510634 0.75 SLC7A5 (0.58) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL4616523 0.72 HSD17B10 (0.68) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL358292 0.72 HSD17B10 (0.68) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL3297372 0.71 THRB (0.59) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL3297376 0.71 THRB (0.59) ADORA3HSD17B10SLC7A5USP2ALOX15
SCHEMBL21556878 0.71 ITGB3 (0.67) ADORA3HSD17B10SLC7A5USP2ALOX15

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-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 — — EP disclosed
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