SCHEMBL7570874

SCHEMBL7570874

Cc1cc[nH]c1CCNC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.45
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7980833 0.82 HPRT1 (0.45) HPRT1ALDH1A1TP53KDM4EPOLB
SCHEMBL7982326 0.81 HPRT1 (0.51) HPRT1ALDH1A1KDM4EMAPT
SCHEMBL7575108 0.81 HPRT1 (0.53) HPRT1
SCHEMBL7570074 0.81 HPRT1 (0.53) HPRT1ALDH1A1HPGDKDM4ELMNA
SCHEMBL7567089 0.80 HPRT1 (0.54) HPRT1HSD17B10
SCHEMBL7568116 0.79 HPRT1 (0.46) HPRT1CYP2C9CYP2C19
SCHEMBL7576799 0.79 HPRT1 (0.51) HPRT1LMNA
SCHEMBL7570897 0.79 CA1 (0.50) HPRT1HSD17B10ALDH1A1POLB
SCHEMBL7570987 0.78 MEN1 (0.51) ALDH1A1MAPTTSHRCYP2C19LMNA
SCHEMBL7570913 0.78 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
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed
EP-1237910-A2 TRP-PROTEIN-RELATED MTR1 PROTEIN AND DNA SEQUENCE CODING THEREFOR Johannes Gutenberg-Universität Mainz (DE) 2002-09-11 EP disclosed
WO-2001032693-A2 TRP-PROTEIN-RELATED MTR1 PROTEIN AND DNA SEQUENCE CODING THEREFOR JOHANNES-GUTENBERG- UNIVERSITÄT (DE) 2001-05-10 WO disclosed