SCHEMBL6652435

SCHEMBL6652435

CCCCNCc1c(C2=Cc3ccccc3C2)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
SLC2A1 P11166 3/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR5 Q9H228 2/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 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
SCHEMBL3684985 0.78 SLC2A1 (0.37) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3213761 0.78 SLC2A1 (0.37) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3205017 0.78 SLC2A1 (0.38) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3205136 0.76 SLC2A1 (0.37) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3199381 0.74 SLC2A1 (0.38) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3199340 0.74 KDM4E (0.36) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL15701697 0.72 ACHE (0.42) GAASMN1; SMN2
SCHEMBL7177911 0.72 PTGS2 (0.47) PTGS2KMT2ATSHRMEN1ALDH1A1
SCHEMBL3201646 0.71 SLC2A1 (0.39) SLC2A1KMT2APOLBTSHRNPSR1
SCHEMBL3204589 0.71 SLC2A1 (0.37) SLC2A1KMT2APOLBTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP disclosed