SCHEMBL8167637

SCHEMBL8167637

O=S(=O)(O)c1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(S(=O)(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(S(=O)(=O)O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NT5E P21589 1/20 0.30

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
SCHEMBL28587239 0.97 ENPP2 (0.32) ENPP2LMNAALDH1A1TSHRNT5E
SCHEMBL267948 0.86 LMNA (0.41) ENPP2LMNAALDH1A1TSHRNT5E
SCHEMBL17768421 0.84 LMNA (0.39) ENPP2LMNAALDH1A1TSHRNT5E
Water SCHEMBL9870236 0.84 LMNA (0.39) ENPP2LMNAALDH1A1TSHRNT5E
SCHEMBL15004685 0.84 LMNA (0.39) ENPP2LMNAALDH1A1TSHRNT5E
Water SCHEMBL23522818 0.84 LMNA (0.39) ENPP2LMNAALDH1A1TSHRNT5E
SCHEMBL20379960 0.84 LMNA (0.39) ENPP2LMNAALDH1A1TSHRNT5E
Water SCHEMBL14977045 0.83 LMNA (0.38) ENPP2LMNAALDH1A1TSHRNT5E
SCHEMBL585641 0.80 SENP1 (0.31) —
SCHEMBL271881 0.80 TSHR (0.46) ENPP2LMNAALDH1A1TSHRNT5E

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-6107480-A 5-(HYDROXYLATEDPHENYL) PORPHYRIN DERIVATIVES WHICH MAY BE COVALENTLY BONDED TO SPECIFIED POLYMERS VIA THE HYDROXYLATED PHENYL GROUP; USE AS PHOTOSENSITIZERS FOR THE CATALYTIC FORMATION OF SINGLET OXYGEN DLR, DEUTSCHE ZENTRUM FUR LUFT UND RAUMFAHRT E.V. (DE) 2000-08-22 — — US disclosed
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