SCHEMBL16199376

SCHEMBL16199376

CC(=O)c1ncn([C@@H]2O[C@H](C(=O)O)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.42
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL12154681 0.89 LMNA (0.43) PTPN1MEN1KMT2AUSP2POLB
SCHEMBL16199375 0.85 LMNA (0.44) MEN1KMT2AUSP2POLBCA1
SCHEMBL12150422 0.82 LMNA (0.41) PTPN1MEN1KMT2AUSP2POLB
SCHEMBL12150465 0.82 PTPN1 (0.41) PTPN1MEN1KMT2AUSP2POLB
SCHEMBL13633941 0.82 PTPN1 (0.41) PTPN1MEN1KMT2AUSP2POLB
SCHEMBL12300346 0.78 LMNA (0.43) MEN1KMT2AUSP2POLBCA1
SCHEMBL12150445 0.76 LMNA (0.43) MEN1KMT2AUSP2POLBCA1
SCHEMBL12300734 0.76 LMNA (0.48) MEN1KMT2AUSP2POLBCA1
SCHEMBL6912924 0.74 LMNA (0.57) MEN1KMT2AUSP2POLBCA1
SCHEMBL12300349 0.74 LMNA (0.47) PTPN1MEN1KMT2AUSP2POLB

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-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
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