SCHEMBL7576799

SCHEMBL7576799

NCCCNC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.51
AKR1B1 P15121 3/20 0.32
TYMS P04818 3/20 0.32
GART P22102 3/20 0.32
ATIC P31939 3/20 0.32
NOS1 P29475 1/20 0.32
PNP P00491 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL7575108 0.93 HPRT1 (0.53) HPRT1AKR1B1NOS1
SCHEMBL7570074 0.89 HPRT1 (0.53) HPRT1AKR1B1PNPLMNAKMT2A
SCHEMBL7570913 0.88 HPRT1 (0.50) HPRT1AKR1B1TYMSGARTATIC
SCHEMBL7982326 0.87 HPRT1 (0.51) HPRT1NOS1
SCHEMBL7567089 0.85 HPRT1 (0.54) HPRT1NOS1
SCHEMBL7570941 0.85 HPRT1 (0.49) HPRT1NOS1
SCHEMBL7571914 0.85 HPRT1 (0.49) HPRT1MEN1KMT2A
SCHEMBL7572274 0.85 HPRT1 (0.49) HPRT1AKR1B1PNP
SCHEMBL7570471 0.85 HPRT1 (0.48) HPRT1MEN1KMT2A
SCHEMBL7570961 0.85 HPRT1 (0.46) HPRT1MEN1LMNAKMT2A

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-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed