SCHEMBL6673404

SCHEMBL6673404

CC(C)C(=O)Nc1c(N)n(Cc2ccc3c(c2)OCO3)c(=S)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RXFP1 Q9HBX9 3/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ESR1 P03372 1/20 0.45
HPGD P15428 8/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.43
S1PR2 O95136 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
BLM P54132 2/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 3/20 0.43
RECQL P46063 2/20 0.43

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
SCHEMBL6672335 0.82 MAPT (0.49) MEN1KMT2ARXFP1MAPTSMN1; SMN2
SCHEMBL6672492 0.72 KMT2A (0.60) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL7090585 0.72 KDM4E (0.54) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL7319925 0.71 KDM4E (0.61) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7088585 0.71 MEN1 (0.53) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL6675028 0.71 MEN1 (0.53) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL7093037 0.66 MAPT (0.49) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL3629676 0.65 KMT2A (0.79) MEN1KMT2ARXFP1POLBMAPT
SCHEMBL14368079 0.65 HPGD (0.76) MEN1KMT2APOLBSMN1; SMN2HPGD
SCHEMBL20289560 0.64 MEN1 (0.60) MEN1KMT2ARXFP1POLBMAPT

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-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed