SCHEMBL6661746

SCHEMBL6661746

CCOCn1cnc2c1c(=O)n(Cc1ccc(OC(F)(F)F)cc1)c(=O)n2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 4/20 0.44
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
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 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.38
ADORA2B P29275 1/20 0.38

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 0.89 KMT2A (0.51) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6665174 0.85 KMT2A (0.46) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6660040 0.85 KMT2A (0.44) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6663376 0.83 KMT2A (0.49) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6661011 0.81 POLB (0.50) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6662150 0.80 KMT2A (0.45) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6659535 0.79 LMNA (0.47) KMT2AMEN1USP2ALDH1A1HSD17B10
SCHEMBL6665787 0.77 SMN1; SMN2 (0.38) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL7459561 0.77 POLB (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL6662449 0.76 POLB (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA

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