SCHEMBL6662150

SCHEMBL6662150

CCOCn1cnc2c1c(=O)n(Cc1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c(=O)n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 2/20 0.38
ADORA2B P29275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6663376 0.82 KMT2A (0.49) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6665174 0.82 KMT2A (0.46) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6661011 0.82 POLB (0.50) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6660040 0.80 KMT2A (0.44) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6661746 0.80 KMT2A (0.44) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6659535 0.79 LMNA (0.47) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL6665787 0.76 SMN1; SMN2 (0.38) KMT2AMEN1ALDH1A1POLBHIF1A
SCHEMBL7459561 0.76 POLB (0.65) KMT2AMEN1ALDH1A1POLBHIF1A
SCHEMBL19006847 0.76 PDE1A (0.60) KMT2AMEN1ALDH1A1POLBHIF1A

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 1 patent. 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