SCHEMBL7575446

SCHEMBL7575446

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCC(CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.46
NOS1 P29475 3/20 0.36
DUT P33316 1/20 0.35
PNP P00491 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MAPK1 P28482 1/20 0.31
TYMS P04818 1/20 0.31

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
SCHEMBL7570451 0.81 HPRT1 (0.53) HPRT1NOS1
SCHEMBL7982852 0.80 HPRT1 (0.44) HPRT1NOS1
SCHEMBL7570074 0.79 HPRT1 (0.53) HPRT1PNP
SCHEMBL5253448 0.79 HPRT1 (0.45) HPRT1TAAR1MAPK1
SCHEMBL7567089 0.78 HPRT1 (0.54) HPRT1NOS1MAPK1
SCHEMBL7575961 0.77 AKR1B1 (0.47) HPRT1TYMS
SCHEMBL7576799 0.76 HPRT1 (0.51) HPRT1NOS1PNPTYMS
SCHEMBL7982326 0.76 HPRT1 (0.51) HPRT1NOS1
SCHEMBL5258342 0.74 HPRT1 (0.48) HPRT1TYMS
SCHEMBL7567133 0.74 HPRT1 (0.57) HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed