SCHEMBL7570074

SCHEMBL7570074

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.53
HPGD P15428 2/20 0.33
AKR1B1 P15121 3/20 0.32
PNP P00491 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL7572274 0.94 HPRT1 (0.49) HPRT1AKR1B1PNP
SCHEMBL7575108 0.91 HPRT1 (0.53) HPRT1AKR1B1
SCHEMBL7567133 0.90 HPRT1 (0.57) HPRT1PNPLMNAALDH1A1
SCHEMBL7576799 0.89 HPRT1 (0.51) HPRT1AKR1B1PNPLMNAKMT2A
SCHEMBL7982326 0.89 HPRT1 (0.51) HPRT1KDM4EALDH1A1GAA
SCHEMBL7567089 0.87 HPRT1 (0.54) HPRT1
SCHEMBL7570941 0.87 HPRT1 (0.49) HPRT1
SCHEMBL7571914 0.87 HPRT1 (0.49) HPRT1KMT2AGAA
SCHEMBL7570980 0.86 HPRT1 (0.48) HPRT1LMNAKMT2AKDM4EGAA
SCHEMBL7575074 0.85 HPRT1 (0.48) HPRT1HPGDLMNAKMT2AKDM4E

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 6 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
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
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 disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed