SCHEMBL7567133

SCHEMBL7567133

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.57
PNP P00491 3/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
EDNRA P25101 1/20 0.35
HTR2A P28223 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7570074 0.90 HPRT1 (0.53) HPRT1PNPALDH1A1LMNA
SCHEMBL7572274 0.86 HPRT1 (0.49) HPRT1PNP
SCHEMBL7575108 0.85 HPRT1 (0.53) HPRT1
SCHEMBL7576799 0.83 HPRT1 (0.51) HPRT1PNPLMNA
SCHEMBL7982326 0.83 HPRT1 (0.51) HPRT1ALDH1A1
SCHEMBL7567089 0.82 HPRT1 (0.54) HPRT1USP2HSD17B10
SCHEMBL7571914 0.82 HPRT1 (0.49) HPRT1USP2TSHR
SCHEMBL7570941 0.82 HPRT1 (0.49) HPRT1
SCHEMBL7575074 0.80 HPRT1 (0.48) HPRT1TSHRALDH1A1LMNA
SCHEMBL7570913 0.80 HPRT1 (0.50) HPRT1

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
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
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