SCHEMBL10593663

SCHEMBL10593663

O=Nc1cc2ccccc2c(O)c1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.51
▸ CTRB1 P17538 1/20 0.48
▸ MPL P40238 6/20 0.46
▸ CTRC Q99895 2/20 0.46
▸ CYP1A2 P05177 8/20 0.40
▸ HIF1A Q16665 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ APP P05067 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39

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
SCHEMBL11433397 0.87 CYP2D6 (0.59) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL11829843 0.82 SUMO2 (0.53) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL5492758 0.80 CYP2D6 (0.57) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL358296 0.80 CYP2D6 (0.57) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL10766361 0.77 CYP2D6 (0.54) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL547342 0.77 CYP2D6 (0.54) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL11500850 0.77 CYP2D6 (0.54) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL9130984 0.77 KDM4E (0.60) CYP2D6CTRB1MPLCTRCCYP1A2
SCHEMBL5921946 0.75 MPL (0.50) CYP2D6CTRB1MPLCTRCCYP1A2
Hydrochloric Acid SCHEMBL27596429 0.75 CYP2D6 (0.59) CYP2D6CTRB1MPLCTRCCYP1A2

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
EP-0346827-A1 Process and composition for producing protective and colour-receptive coatings on aluminium Lea Manufacturing Company (US) 1989-12-20 — — EP claimed
EP-0346827-A1 Process and composition for producing protective and colour-receptive coatings on aluminium Lea Manufacturing Company (US) 1989-12-20 — — EP disclosed
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