SCHEMBL8746993

SCHEMBL8746993

Cn1c(=O)c2[nH]c(NCCCCCO)nc2n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.67
HTT P42858 2/20 0.67
USP2 O75604 1/20 0.65
RECQL P46063 1/20 0.65
POLB P06746 2/20 0.63
MAPT P10636 3/20 0.60
ALOX15 P16050 1/20 0.55
ADORA2A P29274 2/20 0.51
ADORA1 P30542 1/20 0.51
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.47
ADORA2B P29275 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL17213617 0.89 GAA (0.66) GAAHTTUSP2RECQLPOLB
SCHEMBL10812553 0.82 GAA (0.70) GAAHTTUSP2RECQLPOLB
SCHEMBL15749724 0.81 GAA (0.65) GAAHTTUSP2RECQLPOLB
SCHEMBL15749705 0.79 GAA (0.62) GAAHTTUSP2RECQLPOLB
SCHEMBL15750029 0.79 GAA (0.66) GAAHTTUSP2RECQLPOLB
SCHEMBL26447496 0.77 ALDH1A1 (0.72) GAAPOLBMAPTALOX15ADORA2A
SCHEMBL19969306 0.77 ALDH1A1 (0.72) GAAPOLBMAPTALOX15ADORA2A
SCHEMBL24559426 0.77 POLB (1.00) GAAHTTUSP2RECQLPOLB
SCHEMBL24559315 0.76 POLB (0.68) GAAHTTUSP2RECQLPOLB
SCHEMBL10652432 0.76 ALDH1A1 (0.74) GAAPOLBMAPTALOX15ADORA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485156-B1 Methods and compounds for labeling DNA with xanthine and lower alkyl substituted xanthine derivatives and reagents for the in situ detection of chromosomes AMOCO CORP (US) 1997-03-05 EP disclosed
US-5512433-A XANTHINE OR ALKYL SUBSTITUTED XANTHINE DERIVATIVE LABELS ARE CONVALENTLY LINKED TO DNA SEQUENCES, XANTHINE LINKED DNA REAGENTS ARE HYBRIDIZED WITH CHROMOSOME OR SPECIFIC REGIONS OF CHROMOSOME, BINDING IS DETECTED BY IMMUNOLOGICAL TECHNIQUE VYSIS, INC. (US) 1996-04-30 US disclosed
EP-0612357-A1 METHODS FOR DETECTION OF CHROMOSOMAL STURCTURE AND REARRANGEMENTS AMOCO CORPORATION (US) 1994-08-31 EP disclosed
WO-1993017128-A1 METHODS FOR DETECTION OF CHROMOSOMAL STURCTURE AND REARRANGEMENTS AMOCO CORPORATION (US) 1993-09-02 WO disclosed
EP-0485156-A1 Methods and compounds for labeling DNA with xanthine and lower alkyl substituted xanthine derivatives and reagents for the in situ detection of chromosomes AMOCO CORPORATION (US) 1992-05-13 EP disclosed