SCHEMBL9257239

SCHEMBL9257239

Cc1ccc(SC2CC(=O)N2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.51
DDB1 Q16531 9/20 0.51
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
CREBBP Q92793 3/20 0.37
BRD4 O60885 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL17276659 0.85 MEN1 (0.37) CRBNDDB1ALDH1A1MAPTGAA
SCHEMBL9256649 0.81 CRBN (0.51) CRBNDDB1GAACREBBPTDP1
SCHEMBL9253852 0.80 CREBBP (0.44) CRBNDDB1ALDH1A1MAPTCREBBP
SCHEMBL8442975 0.80 CRBN (0.55) CRBNDDB1MAPTGAACREBBP
SCHEMBL8439360 0.80 CRBN (0.47) CRBNDDB1ALDH1A1MAPTGAA
SCHEMBL11036165 0.80 CRBN (0.47) CRBNDDB1ALDH1A1MAPTGAA
SCHEMBL8522217 0.80 CRBN (0.47) CRBNDDB1ALDH1A1MAPTGAA
SCHEMBL9261121 0.79 DDB1 (0.55) CRBNDDB1ALDH1A1MAPTCREBBP
SCHEMBL17276250 0.77 DDB1 (0.55) CRBNDDB1
SCHEMBL17276597 0.75 CRBN (0.46) CRBNALDH1A1MAPTGAASMN1; SMN2

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-1995002579-A1 SUBSTITUTED AZETIDINONE AMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS ZENECA LIMITED (GB) 1995-01-26 WO disclosed
EP-0003415-A2 Beta-Lactam compounds, processes for their preparation,compositions containing them and intermediates of use in their preparation GLAXO GROUP LIMITED (GB) 1979-08-08 EP disclosed
EP-0000636-A1 Penem compounds, processes for their preparation, their use in pharmaceutical compositions and azetidinones used in their preparation GLAXO GROUP LIMITED (GB) 1979-02-07 EP disclosed