SCHEMBL10845588

SCHEMBL10845588

O=C1/C(=C/c2ccc(/C=C3\Nc4ccc(S(=O)(=O)O)cc4C3=O)cc2)Nc2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ APP P05067 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ APAF1 O14727 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP3 P42574 4/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ TYR P14679 1/20 0.40

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
SCHEMBL10845595 1.00 MAPT (0.51) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10848662 0.92 MAPT (0.44) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10852784 0.90 MAPT (0.50) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10852779 0.90 MAPT (0.50) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10849419 0.83 MAPT (0.51) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10852100 0.82 TYR (0.49) MAPTAPPMEN1HPGDKMT2A
SCHEMBL10845785 0.80 TYR (0.40) MAPTAPPMEN1KMT2ACA12
SCHEMBL10849385 0.79 TYR (0.40) MAPTAPPMEN1KMT2ACA12
Indigotindisulfonate SCHEMBL186297 0.77 CA12 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL458636 0.77 CA12 (0.69) CA12CA1CA2CA9ALDH1A1

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
US-4567048-A SULFONATED INDOXYL DERIVATIVES PFIZER INC. (US) 1986-01-28 — — US claimed
US-4567048-A SULFONATED INDOXYL DERIVATIVES PFIZER INC. (US) 1986-01-28 — — US disclosed
US-4567048-A SULFONATED INDOXYL DERIVATIVES PFIZER INC. (US) 1986-01-28 — — US disclosed
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