SCHEMBL7588286

SCHEMBL7588286

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCNC(=O)CN1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.46
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NQO2 P16083 1/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7570961 0.91 HPRT1 (0.46) HPRT1KMT2AMEN1LMNATSHR
SCHEMBL7571914 0.83 HPRT1 (0.49) HPRT1KMT2AMEN1TSHR
SCHEMBL7982326 0.83 HPRT1 (0.51) HPRT1
SCHEMBL7570074 0.83 HPRT1 (0.53) HPRT1KMT2ALMNAHTT
SCHEMBL7575108 0.83 HPRT1 (0.53) HPRT1
SCHEMBL7570980 0.82 HPRT1 (0.48) HPRT1KMT2AMEN1LMNATSHR
SCHEMBL7570941 0.81 HPRT1 (0.49) HPRT1
SCHEMBL7572274 0.81 HPRT1 (0.49) HPRT1
SCHEMBL7576799 0.81 HPRT1 (0.51) HPRT1KMT2AMEN1LMNA
SCHEMBL7567089 0.80 HPRT1 (0.54) HPRT1MAPK1

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