SCHEMBL6659535

SCHEMBL6659535

CCOCn1cnc2c1c(=O)n(Cc1ccccn1)c(=O)n2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
GABRA5 P31644 3/20 0.42
GABRA1 P14867 2/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPA1 O75762 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6665236 0.88 KMT2A (0.51) LMNAALDH1A1KDM4EKMT2AUSP2
SCHEMBL6665174 0.86 KMT2A (0.46) LMNAALDH1A1KDM4EKMT2AUSP2
SCHEMBL6661011 0.83 POLB (0.50) LMNAALDH1A1KDM4EKMT2AGABRA5
SCHEMBL6660040 0.80 KMT2A (0.44) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL6663336 0.80 TAS2R8 (0.41) LMNAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL6661746 0.79 KMT2A (0.44) LMNAALDH1A1KDM4EKMT2AUSP2
SCHEMBL6665787 0.79 SMN1; SMN2 (0.38) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL6666190 0.79 SMN1; SMN2 (0.41) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL6663376 0.79 KMT2A (0.49) LMNAALDH1A1KDM4EKMT2AUSP2
SCHEMBL6662150 0.79 KMT2A (0.45) LMNAALDH1A1KDM4EKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257552-B1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA SA (FR) 2004-08-18 EP disclosed
EP-1257552-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS Aventis Pharma S.A. (FR) 2002-11-20 EP disclosed
WO-2001060824-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2001-08-23 WO disclosed