SCHEMBL8348684

SCHEMBL8348684

COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.67
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 1/20 0.59
RAF1 P04049 1/20 0.59
TP53 P04637 3/20 0.58
TSHR P16473 1/20 0.58
KDR P35968 2/20 0.58
PDGFRA P16234 1/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CSF1R P07333 1/20 0.57

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
SCHEMBL21295339 0.92 TP53 (0.63) MCHR1KMT2AMEN1MAPTRAB9A
SCHEMBL21295536 0.91 KDR (0.61) MCHR1KMT2AMEN1MAPTRAB9A
SCHEMBL8350552 0.90 KMT2A (0.72) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6110029 0.88 MCHR1 (0.65) MCHR1KMT2AMEN1MAPTRAB9A
SCHEMBL19427494 0.86 RAB9A (0.73) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL21295375 0.85 TP53 (0.66) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL30743987 0.85 TP53 (0.66) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL21295574 0.85 NPC1 (0.76) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8345734 0.84 KMT2A (0.78) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL21295338 0.84 TP53 (0.83) KMT2AMEN1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed