SCHEMBL7797732

SCHEMBL7797732

NCC(=O)c1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2F)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ P2RX3 P56373 2/20 0.43
▸ P2RX4 Q99571 2/20 0.43
▸ P2RX2 Q9UBL9 2/20 0.43
▸ GAPDH P04406 2/20 0.41
▸ ENPP1 P22413 1/20 0.39
▸ HRAS P01112 1/20 0.39
▸ P2RY11 Q96G91 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ P2RX6 O15547 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX5 Q93086 1/20 0.37
▸ P2RX7 Q99572 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
SCHEMBL7797736 1.00 MEN1 (0.48) MEN1USP2POLBKMT2ACA1
SCHEMBL7798922 0.92 MEN1 (0.45) MEN1USP2POLBKMT2ACA1
SCHEMBL7798924 0.92 MEN1 (0.45) MEN1USP2POLBKMT2ACA1
SCHEMBL7795029 0.92 MEN1 (0.48) MEN1USP2POLBKMT2ACA1
SCHEMBL7795025 0.92 MEN1 (0.48) MEN1USP2POLBKMT2ACA1
SCHEMBL8394489 0.89 GAPDH (0.47) MEN1USP2POLBKMT2ACA1
SCHEMBL8394491 0.89 GAPDH (0.47) MEN1USP2POLBKMT2ACA1
SCHEMBL8637662 0.87 MEN1 (0.44) MEN1USP2POLBKMT2ACA1
SCHEMBL8637665 0.87 MEN1 (0.44) MEN1USP2POLBKMT2ACA1
SCHEMBL18490524 0.80 LMNA (0.53) MEN1USP2POLBKMT2ACA1

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
Send feedback