SCHEMBL7797758

SCHEMBL7797758

O=C(OC[C@H]1O[C@@H](n2cnc(C(=O)O)c2N2C(=O)c3ccccc3C2=O)[C@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ GAPDH P04406 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HRAS P01112 1/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ PNP P00491 1/20 0.33

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
SCHEMBL7797059 1.00 MEN1 (0.47) MEN1USP2POLBKMT2ALMNA
SCHEMBL7797092 0.93 MEN1 (0.45) MEN1USP2POLBKMT2ALMNA
SCHEMBL7797090 0.93 MEN1 (0.45) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795059 0.92 MEN1 (0.44) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795062 0.92 MEN1 (0.44) MEN1USP2POLBKMT2ALMNA
SCHEMBL8636788 0.90 MEN1 (0.43) MEN1USP2POLBKMT2ALMNA
SCHEMBL8636791 0.90 MEN1 (0.43) MEN1USP2POLBKMT2ALMNA
SCHEMBL7788310 0.89 MEN1 (0.42) MEN1USP2POLBKMT2ALMNA
SCHEMBL7788314 0.89 MEN1 (0.42) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795025 0.85 MEN1 (0.48) MEN1USP2POLBKMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794194-B1 A process for the preparation of 2'-deoxy-2'-halocoformycins or stereoisomers thereof ZAIDAN HOJIN BISEIBUTSU (JP) 2001-12-12 — — EP disclosed
US-5831072-A Process for the preparation of 2'-deoxy-2'-halocoformycins or steroisomers thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-11-03 — — US disclosed
EP-0794194-A1 A process for the preparation of 2'-deoxy-2'-halocoformycins or stereoisomers thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-09-10 — — EP disclosed
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