SCHEMBL7589916

SCHEMBL7589916

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.52
USP2 O75604 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOS1 P29475 1/20 0.30
PAH P00439 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
SCHEMBL7570451 0.88 HPRT1 (0.53) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL7570074 0.85 HPRT1 (0.53) HPRT1
SCHEMBL7575446 0.84 HPRT1 (0.46) HPRT1NOS1
SCHEMBL7567089 0.84 HPRT1 (0.54) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL7575108 0.83 HPRT1 (0.53) HPRT1NOS1
SCHEMBL571080 0.82 HPRT1 (0.60) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL7572274 0.81 HPRT1 (0.49) HPRT1
SCHEMBL7576799 0.81 HPRT1 (0.51) HPRT1NOS1
SCHEMBL7982326 0.81 HPRT1 (0.51) HPRT1NOS1
SCHEMBL5253448 0.80 HPRT1 (0.45) HPRT1HSD17B10

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