SCHEMBL6663376

SCHEMBL6663376

CCOCn1cnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CTSK P43235 1/20 0.42
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
HTT P42858 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL6660040 0.93 KMT2A (0.44) KMT2AMEN1LMNAMAPTRXFP1
SCHEMBL6665236 0.88 KMT2A (0.51) KMT2AMEN1LMNARXFP1HTT
SCHEMBL6666762 0.84 MAPK1 (0.53) KMT2AMEN1TP53LMNAMAPT
SCHEMBL6661746 0.83 KMT2A (0.44) KMT2AMEN1TP53LMNARXFP1
SCHEMBL6662150 0.82 KMT2A (0.45) KMT2AMEN1LMNARXFP1HTT
SCHEMBL6665174 0.82 KMT2A (0.46) KMT2AMEN1LMNARXFP1HTT
SCHEMBL6661011 0.82 POLB (0.50) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6659535 0.79 LMNA (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL6665787 0.78 SMN1; SMN2 (0.38) KMT2AMEN1TP53LMNAMAPT
SCHEMBL20989216 0.77 TP53 (0.48) KMT2AMEN1TP53LMNAMAPT

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