SCHEMBL12500488

SCHEMBL12500488

O=C(O)CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.69
▸ CTDSP1 Q9GZU7 1/20 0.69
▸ PRMT1 Q99873 2/20 0.59
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ ENPP2 Q13822 3/20 0.47
▸ NT5E P21589 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ NSD2 O96028 2/20 0.44
▸ DUSP3 P51452 2/20 0.44

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
SCHEMBL11913169 0.88 PRMT1 (0.60) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL11342001 0.85 PRMT1 (0.82) CASP6CTDSP1PRMT1CA1CA2
SCHEMBL10907433 0.85 CASP6 (0.80) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL8115834 0.84 NT5E (0.67) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL27648929 0.84 CASP6 (0.81) CASP6CTDSP1PRMT1CA1CA2
SCHEMBL3830931 0.84 CASP6 (0.77) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL30646175 0.83 CASP6 (0.98) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL14413308 0.83 CASP6 (0.98) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL8416196 0.82 PRMT1 (0.72) CASP6CTDSP1PRMT1CA12CA1
SCHEMBL12412510 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2LMNAPOLBCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8477268-B2 Azo compound and salts thereof, as well as dye-based polarization films and polarizing plates comprising the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-07-02 — — US disclosed
US-20110164208-A1 Azo Compound And Salts Thereof, As Well As Dye-Based Polarization Films And Polarizing Plates Comprising The Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-07 — — US disclosed
Send feedback