SCHEMBL6830270

SCHEMBL6830270

O=CNC1=CCc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.37
SRD5A1 P18405 5/20 0.35
SRD5A2 P31213 2/20 0.35
S100A4 P26447 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
AHR P35869 1/20 0.31
PPOX P50336 1/20 0.31
NOTUM Q6P988 1/20 0.30
PTAFR P25105 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
SCHEMBL6826687 0.77 ALDH1A1 (0.40) HSP90AA1ALDH1A1
SCHEMBL6826934 0.74 KDM4E (0.46) SRD5A1SRD5A2ALDH1A1NOTUM
SCHEMBL29544 0.67 METAP1 (0.39) METAP1SRD5A1SRD5A2S100A4HTT
SCHEMBL3870099 0.67 METAP1 (0.36) METAP1SRD5A1SRD5A2S100A4HTT
SCHEMBL16371580 0.62 PTGS2 (0.43) SRD5A1SRD5A2S100A4TDP1ALDH1A1
SCHEMBL31757069 0.62 PTGS2 (0.43) SRD5A1SRD5A2S100A4TDP1ALDH1A1
SCHEMBL19775784 0.62 CES1 (0.39) HTTALDH1A1MAPT
SCHEMBL17430186 0.62 CYP2A6 (0.45) S100A4TDP1ALDH1A1MAPT
SCHEMBL13039531 0.61 ALDH1A1 (0.54) HTTTDP1ALDH1A1MAPT
SCHEMBL1758631 0.61 MEN1 (0.50) TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US claimed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO claimed
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US disclosed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO disclosed