SCHEMBL5310906

SCHEMBL5310906

COC(=O)Cn1c(C)c(NS(=O)(=O)c2cccc3cccnc23)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
SLC40A1 Q9NP59 3/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PKLR P30613 1/20 0.43
NTSR1 P30989 2/20 0.43

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
SCHEMBL5313725 0.91 KMT2A (0.51) KMT2AMEN1ATMSLC40A1MAPT
SCHEMBL5311729 0.86 HCRTR1 (0.43) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL5313192 0.84 PTGDR2 (0.48) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL5312227 0.83 CCR4 (0.46) HTTMAPT
SCHEMBL5310476 0.79 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPT
SCHEMBL5314252 0.79 PTGDR2 (0.47) ALDH1A1MAPT
SCHEMBL5310070 0.78 CA12 (0.43) ALDH1A1MAPT
SCHEMBL5311159 0.76 PTGDR2 (0.49)
SCHEMBL5311262 0.76 PTGDR2 (0.47) ALDH1A1MAPT
SCHEMBL5312658 0.76 MAPT (0.51) ALDH1A1MAPT

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
WO-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed