SCHEMBL4716559

SCHEMBL4716559

COc1cc(NCc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.60
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 3/20 0.55
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TSHR P16473 1/20 0.51
PKM P14618 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
APAF1 O14727 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL5309365 0.85 HIF1A (0.63) HIF1AHDAC1HDAC2POLBKMT2A
SCHEMBL6154003 0.80 HIF1A (0.64) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL31527666 0.79 TUBB4A (0.69) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL28532163 0.79 PTPN7 (0.58) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL27182960 0.79 TUBB4A (0.69) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL6140542 0.78 HIF1A (0.66) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL11825145 0.78 PDGFRB (0.50) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL1064897 0.78 NR1H4 (0.67) HIF1AHDAC1HDAC2CA1CA2
SCHEMBL30679030 0.77 MAPT (0.57) HIF1ACA1CA2TSHRPOLB
SCHEMBL11835271 0.77 MAPT (0.57) HIF1ACA1CA2TSHRKMT2A

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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed