SCHEMBL7586861

SCHEMBL7586861

Nc1nc2c(ncn2CCC(=O)NCCc2c[nH]c3ccccc23)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.57
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.51
UBE2N P61088 1/20 0.51
MTNR1A P48039 2/20 0.49
AANAT Q16613 1/20 0.48
ERAP2 Q6P179 1/20 0.47
HPRT1 P00492 1/20 0.46
TK1 P04183 1/20 0.46
PNP P00491 1/20 0.46
LMNA P02545 1/20 0.46
IDE P14735 1/20 0.46

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
SCHEMBL7394401 0.88 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTUBE2N
SCHEMBL7980835 0.79 HPRT1 (0.50) HPRT1TK1PNP
SCHEMBL7575116 0.79 TK1 (0.59) HPRT1TK1PNP
SCHEMBL7570078 0.79 TK1 (0.65) ALDH1A1MEN1KMT2AHPRT1TK1
SCHEMBL7570901 0.78 CA1 (0.55) ALDH1A1HPRT1TK1PNP
SCHEMBL7576803 0.77 TK1 (0.60) HPRT1TK1PNP
SCHEMBL7982329 0.77 TK1 (0.57) HPRT1TK1PNP
SCHEMBL7570987 0.77 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTUBE2N
SCHEMBL4161218 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTUBE2N
SCHEMBL7567095 0.76 TK1 (0.60) HPRT1TK1PNP

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