SCHEMBL8987607

SCHEMBL8987607

COc1cc2[nH]c(=O)n(CC(C)S)c(=O)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 12/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 6/20 0.55
HSD17B10 Q99714 7/20 0.52
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MPO P05164 1/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL7023017 0.87 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8987638 0.81 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8987687 0.78 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9298894 0.76 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9299629 0.76 FEN1 (0.57) KMT2ARXFP1MPOXDH
SCHEMBL6804934 0.74 CYP1A2 (0.65) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL17241565 0.74 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18708215 0.69 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10MAPK1LMNA
SCHEMBL6300064 0.68 MPO (0.70) ALDH1A1MAPTHSD17B10POLBMAPK1
SCHEMBL15537894 0.68 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454060-B1 3-(Mercaptoalkyl)-quinazoline-2,4(1H,3H)-diones, processes for their preparation, and pharmaceutical compositions DROESSLER KARL PROF DR (DE) 1996-07-03 EP disclosed
US-5306721-A Immunostimulants, viricides ARZNEIMITTELERK DRESDEN G.M.B.H. (DE) 1994-04-26 US disclosed
EP-0454060-A1 3-(Mercaptoalkyl)-quinazoline-2,4(1H,3H)-diones, processes for their preparation, and pharmaceutical compositions ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-10-30 EP disclosed