SCHEMBL7570108

SCHEMBL7570108

CCCOC(=O)c1cc(N(C)C)ccc1NC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.42
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TERT O14746 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL7526207 0.74 THRB (0.48) HPRT1ALDH1A1POLB
SCHEMBL7567089 0.71 HPRT1 (0.54) HPRT1
SCHEMBL9364441 0.70 HPRT1 (0.60) HPRT1
SCHEMBL5258342 0.70 HPRT1 (0.48) HPRT1ALDH1A1POLB
SCHEMBL7570471 0.68 HPRT1 (0.48) HPRT1ALDH1A1
SCHEMBL10507491 0.68 HPRT1 (0.46) HPRT1ALDH1A1
SCHEMBL7982326 0.67 HPRT1 (0.51) HPRT1ALDH1A1
SCHEMBL7570074 0.67 HPRT1 (0.53) HPRT1ALDH1A1
SCHEMBL5250159 0.67 HPRT1 (0.60) HPRT1
Hydrochloric Acid SCHEMBL7571975 0.67 HDAC3 (0.48) HPRT1HDAC3HDAC1ALDH1A1POLB

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-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed