SCHEMBL7061691

SCHEMBL7061691

O=c1[nH]cnc2c1NCN2COCCO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.59
PNP P00491 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
EDNRA P25101 1/20 0.36
HTR2A P28223 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.31
UPP1 Q16831 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2913487 0.80 HPRT1 (0.59) HPRT1PNPKDM4AKDM4BKDM5C
SCHEMBL8165937 0.78 HPRT1 (0.49) HPRT1PNPKDM4AKDM4BKDM5C
SCHEMBL146427 0.75 HPRT1 (0.61) HPRT1PNPUSP2TSHREDNRA
SCHEMBL14425274 0.75 PNP (0.34) HPRT1PNPUSP2TSHREDNRA
SCHEMBL11730994 0.73 HPRT1 (0.60) HPRT1PNPUSP2TSHREDNRA
SCHEMBL7375871 0.73 HPRT1 (0.58) HPRT1TSHRHSD17B10
SCHEMBL9236484 0.72 KMT2A (0.41) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11308939 0.72 HPRT1 (0.65) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL6439956 0.72 HPRT1 (0.65) HPRT1PNPUSP2TSHREDNRA
Phosphoric Acid SCHEMBL11310331 0.71 HPRT1 (0.64) HPRT1PNPUSP2TSHREDNRA

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
WO-2003033649-A2 HEXAMERIC COMPLEXES AND THEIR PREPARATION THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2003-04-24 WO disclosed
EP-1274461-A2 RHAMM PEPTIDE CONJUGATES Cangene Corporation (CA) 2003-01-15 EP disclosed
WO-2001080899-A2 RHAMM PEPTIDE CONJUGATES CANGENE CORPORATION (CA) 2001-11-01 WO disclosed