SCHEMBL7895654

SCHEMBL7895654

[N-]=[N+]=NO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.51
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN11 Q06124 1/20 0.46
F11 P03951 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPK1 P28482 2/20 0.44
TMPRSS2 O15393 1/20 0.44
PDE5A O76074 1/20 0.44
HMGCR P04035 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL7213224 1.00 PTPN1 (0.51) PTPN1USP2MEN1POLBKMT2A
SCHEMBL11896849 0.91 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL15814640 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14011212 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14037294 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL17326916 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL19090430 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL6252674 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL4875707 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14356268 0.84 PTPN1 (0.68) PTPN1USP2MEN1POLBKMT2A

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-1027359-A4 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2001-07-25 EP disclosed
EP-1027359-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 2000-08-16 EP disclosed
WO-1998016186-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 WO disclosed