SCHEMBL1826346

SCHEMBL1826346

CC1=Cc2c(sc(-c3ccccc3)c2C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 7/20 0.41
GRM5 P41594 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LIMK1 P53667 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 2/20 0.35
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1827223 0.85 PTGS2 (0.39) GRM6GRM5HPGDALDH1A1GAA
SCHEMBL1824700 0.77 MAPK1 (0.38) GRM6HPGDALDH1A1MAPTKDM4E
SCHEMBL1825499 0.73
SCHEMBL16996824 0.70 GRM6 (0.52) GRM6GRM5HPGDALDH1A1GAA
SCHEMBL13713793 0.69 GRM6 (0.47) GRM6GRM5HPGDALDH1A1GAA
SCHEMBL14190044 0.68 GRM6 (0.50) GRM6GRM5HPGDALDH1A1GAA
SCHEMBL3289225 0.68 GPR3 (0.41) HPGDALDH1A1MAPTKDM4ECASP1
SCHEMBL6019765 0.66 PTGS2 (0.40) GRM6TP53PTGS2
SCHEMBL6018836 0.64 PTGS2 (0.39) GRM6GRM5HPGDALDH1A1GAA
SCHEMBL25289822 0.64 IKBKB (0.38) HPGDALDH1A1MAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854804-B1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2011-05-04 EP disclosed
EP-1854804-A1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers Basell Polyolefine GmbH (DE) 2007-11-14 EP disclosed
US-7112638-B2 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2006-09-26 US disclosed
US-20030036612-A1 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2003-02-20 US disclosed
EP-1157027-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS Basell Technology Company B.V. (NL) 2001-11-28 EP disclosed
WO-2001047939-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-05 WO disclosed