SCHEMBL7570451

SCHEMBL7570451

CC(O)CNC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.53
HSD17B10 Q99714 3/20 0.35
NOS1 P29475 3/20 0.35
CASP7 P55210 2/20 0.35
USP2 O75604 1/20 0.35
PAH P00439 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7589916 0.88 HPRT1 (0.52) HPRT1HSD17B10NOS1CASP7USP2
SCHEMBL7567089 0.87 HPRT1 (0.54) HPRT1HSD17B10NOS1CASP7USP2
SCHEMBL7982326 0.84 HPRT1 (0.51) HPRT1NOS1KDM4EMAPTALDH1A1
SCHEMBL7575108 0.84 HPRT1 (0.53) HPRT1NOS1NOS3NOS2
SCHEMBL7570074 0.84 HPRT1 (0.53) HPRT1KDM4EKMT2AALDH1A1HPGD
SCHEMBL7576799 0.82 HPRT1 (0.51) HPRT1NOS1KMT2AMEN1LMNA
SCHEMBL5253448 0.81 HPRT1 (0.45) HPRT1HSD17B10KDM4EMAPTBLM
SCHEMBL7575446 0.81 HPRT1 (0.46) HPRT1NOS1
SCHEMBL7575074 0.81 HPRT1 (0.48) HPRT1KDM4EKMT2AALDH1A1HPGD
SCHEMBL7570913 0.81 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 4 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
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