SCHEMBL4785447

SCHEMBL4785447

C=CCC1=Cc2cccc3cccc(c23)C1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
S100A4 P26447 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TOP2A P11388 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
THRB P10828 1/20 0.32
CASP3 P42574 1/20 0.32
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4565339 0.88 KMT2A (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL130313 0.72 MAPK1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL131338 0.72 MAPK1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL2860815 0.71 GABRA1 (0.39) MAPTKMT2AMEN1GABRA1GABRB2
SCHEMBL21870556 0.69 MEN1 (0.45) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL5376120 0.68 MAPK1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL129396 0.68 MEN1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL4512216 0.68 MEN1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL131339 0.68 MAPK1 (0.47) MAPTKMT2AMAPK1MEN1S100A4
SCHEMBL130314 0.68 MAPK1 (0.47) MAPTKMT2AMAPK1MEN1S100A4

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
WO-2008127036-A2 PHOTOSENSITIVE RESIN COMPOSITION COMPRISING A POLYMER PREPARED BY USING MACROMONOMER AS ALKALI SOLUBLE RESIN LG CHEM, LTD. (KR) 2008-10-23 WO disclosed
US-5064895-A POLYARYLENE SULFIDE MOLDING COMPOUNDS AND THEIR USE AS AN ENCAPSULATING COMPOUND FOR ACTIVE AND PASSIVE ELECTRONIC COMPONENTS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
US-5032674-A Polythioethers BAYER AKTIENGESELLSCHAFT (DE) 1991-07-16 US disclosed