SCHEMBL5759818

SCHEMBL5759818

CCOC(=O)Cc1coc(-c2cccs2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5761247 0.88 HDAC1 (0.46) KMT2AMEN1POLBESR2L3MBTL1
SCHEMBL5286801 0.79 SMN1; SMN2 (0.58) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL4507350 0.76 SMN1; SMN2 (0.64) POLBL3MBTL1NPSR1NPC1ALDH1A1
SCHEMBL3592886 0.75 ESR1 (0.44) ESR2SMN1; SMN2
SCHEMBL5758856 0.75 HDAC1 (0.52) KMT2AMEN1POLBL3MBTL1NPSR1
SCHEMBL10247601 0.75 HDAC1 (0.45) KMT2AMEN1POLBL3MBTL1NPSR1
SCHEMBL17873459 0.74 RAB9A (0.52) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2817919 0.74 LMNA (0.57) KMT2AALDH1A1LMNATP53HPGD
SCHEMBL4907387 0.74 PPARG (0.50) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL27521358 0.74 HDAC1 (0.49) KMT2AMEN1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed