SCHEMBL7901103

SCHEMBL7901103

ClC1=C(Cl)C([Sc])c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
DNMT1 P26358 1/20 0.36
DNMT3L Q9UJW3 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TLR9 Q9NR96 1/20 0.31
S100A4 P26447 1/20 0.30

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
SCHEMBL10431968 0.73 S100A4 (0.39) IDO1DNMT1DNMT3LDNMT3AGPR3
SCHEMBL9557721 0.61 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AGPR3
SCHEMBL18784868 0.59 GPR3 (0.41) SLC22A2SLC22A3GPR3HTR2AS100A4
SCHEMBL2286468 0.59 HTR2A (0.58) SLC22A2SLC22A3GPR3HTR2ATSHR
SCHEMBL5343918 0.59 GPR3 (0.46) SLC22A2SLC22A3GPR3HTR2AS100A4
SCHEMBL31266545 0.59 GPR3 (0.46) SLC22A2SLC22A3GPR3HTR2AS100A4
SCHEMBL3885169 0.59 TSHR (0.37) HTR2ATSHRS100A4CYP2A6
SCHEMBL10863105 0.57 S100A4 (0.37) SLC22A2SLC22A3GPR3HTR2ATNKS2
SCHEMBL29950614 0.57 GPR3 (0.50) SLC22A2SLC22A3GPR3HTR2A
SCHEMBL524603 0.57 GPR3 (0.50) SLC22A2SLC22A3GPR3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838476-B1 Solid precursor of a catalyst system for polymerization of olefins, process for its preparation and catalytic system containing said precursor and process for the polymerization of olefins using said catalyst system SOLVAY (BE) 2001-09-26 EP disclosed
US-6187882-B1 POLYMERIZING AN OLEFIN OR MIXTURE THEREOF IN PRESENCE OF A SOLVENT, A SUPPORTED METALLOCENE AND AN ALUMINOXANE AS COCATALYST IN A HYDROCARBON MEDIUM, AT A TEMPERATURE IN THE RANGE OF 50 TO 150 DEGREES C, AT A PRESSURE OF 1 TO 20 BAR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2001-02-13 US disclosed