SCHEMBL1424820

SCHEMBL1424820

c1csc(-c2nnnnn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 4/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL13977912 0.87 KDM4E (0.52) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL22558020 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL820251 0.78 RPS6KB2 (0.50) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL19148655 0.77 KDM4E (0.58) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL28960097 0.75 KDM4E (0.56) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL30104195 0.75 KDM4E (0.56) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL1003749 0.73 CYP19A1 (0.58) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL822314 0.73 DPP4 (0.53) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL3545 0.73 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL16291133 0.73 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDKMT2ATDP1

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
US-8840339-B2 Soil remediation process THE UNIVERSITY OF QUEENSLAND (AU) 2014-09-23 US disclosed
US-20110182670-A1 SOIL REMEDIATION PROCESS THE UNIVERSITY OF QUEENSLAND (AU) 2011-07-28 US disclosed
EP-2296833-A1 SOIL REMEDIATION PROCESS The University Of Queensland (AU) 2011-03-23 EP disclosed
WO-2010037169-A1 PROCESS FOR EXTRACTION OF MINED MATERIAL THE UNIVERSITY OF QUEENSLAND (AU) 2010-04-08 WO disclosed
WO-2009155643-A1 SOIL REMEDIATION PROCESS THE UNIVERSITY OF QUEENSLAND (AU) 2009-12-30 WO disclosed