SCHEMBL2426599

SCHEMBL2426599

O=c1ccnnc2ccsc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 5/20 0.35
RAB9A P51151 4/20 0.35
TSHR P16473 2/20 0.35
HCRTR1 O43613 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE7A Q13946 3/20 0.33
PDE4B Q07343 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
ELANE P08246 1/20 0.32
SPR P35270 1/20 0.31

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
SCHEMBL218043 0.70
Hydrochloric Acid SCHEMBL29671085 0.68 ALDH1A1 (0.32) TSHRHSD17B10
Bromide SCHEMBL29671076 0.68 ALDH1A1 (0.32) TSHRHSD17B10
SCHEMBL30433507 0.65 DYRK1A (0.35) PDPK1PARP1TSHRHSD17B10AXL
SCHEMBL20674132 0.65 AXL (0.34) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL22336047 0.65 DYRK1A (0.43) PDPK1PARP1MAPTMEN1KMT2A
SCHEMBL13182502 0.65 AXL (0.34) PDPK1PARP1MAPTRAB9AMEN1
SCHEMBL10915904 0.64 PDPK1 (0.52) PDPK1PARP1MAPTRAB9ATSHR
SCHEMBL11299368 0.63 PDPK1 (0.50) PDPK1PARP1MAPTMEN1KMT2A
SCHEMBL13158237 0.62 ADORA3 (0.36) PDPK1PARP1MEN1KMT2AAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed