SCHEMBL19175268

SCHEMBL19175268

Cc1cc(N)ccc1N=Nc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(OCCCS(=O)(=O)O)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 12/20 0.54
▸ CASP6 P55212 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ ATIC P31939 1/20 0.39
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SENP3 Q9H4L4 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL19174838 0.90 ENPP2 (0.55) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL19174828 0.90 ENPP2 (0.55) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL19167323 0.89 ENPP2 (0.46) ENPP2CASP6CTDSP1SUMO2SUMO1
SCHEMBL18419441 0.86 CASP6 (0.57) ENPP2CASP6CTDSP1MEN1KMT2A
SCHEMBL19174730 0.85 ENPP2 (0.47) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL19174841 0.85 ENPP2 (0.47) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL12503985 0.85 ENPP2 (0.56) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL19174793 0.84 ENPP2 (0.57) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL20735405 0.84 ENPP2 (0.55) ENPP2CASP6CTDSP1SUMO2SUMO1
SCHEMBL19165776 0.84 ENPP2 (0.47) ENPP2CASP6CTDSP1CD40CD40LG

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
US-20170210902-A1 Azo Compound, Dye-Based Polarizing Film Containing Same, And Polarizing Plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-07-27 — — US disclosed
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