SCHEMBL7798922

SCHEMBL7798922

Nc1c(C(=O)CCl)ncn1[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ P2RX3 P56373 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ GAPDH P04406 2/20 0.40
▸ TYMP P19971 2/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ HRAS P01112 1/20 0.38
▸ P2RY11 Q96G91 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ P2RX6 O15547 1/20 0.37
▸ P2RX1 P51575 1/20 0.37

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
SCHEMBL7798924 1.00 MEN1 (0.45) MEN1USP2POLBKMT2ALMNA
SCHEMBL7797736 0.92 MEN1 (0.48) MEN1USP2POLBKMT2ALMNA
SCHEMBL7797732 0.92 MEN1 (0.48) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795029 0.91 MEN1 (0.48) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795025 0.91 MEN1 (0.48) MEN1USP2POLBKMT2ALMNA
SCHEMBL8394489 0.88 GAPDH (0.47) MEN1USP2POLBKMT2ALMNA
SCHEMBL8394491 0.88 GAPDH (0.47) MEN1USP2POLBKMT2ALMNA
SCHEMBL8637665 0.86 MEN1 (0.44) MEN1USP2POLBKMT2ALMNA
SCHEMBL8637662 0.86 MEN1 (0.44) MEN1USP2POLBKMT2ALMNA
SCHEMBL7795059 0.86 MEN1 (0.44) 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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