SCHEMBL7258220

SCHEMBL7258220

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ SENP1 Q9P0U3 1/20 0.38
▸ ENPP2 Q13822 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ UQCRB P14927 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MGAM O43451 1/20 0.32

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
SCHEMBL267948 0.94 LMNA (0.41) LMNAENPP2TSHRALDH1A1NT5E
SCHEMBL17768421 0.92 LMNA (0.39) LMNAENPP2TSHRALDH1A1NT5E
SCHEMBL15004685 0.92 LMNA (0.39) LMNAENPP2TSHRALDH1A1NT5E
SCHEMBL20379960 0.92 LMNA (0.39) LMNAENPP2TSHRALDH1A1NT5E
Water SCHEMBL9870236 0.92 LMNA (0.39) LMNAENPP2TSHRALDH1A1NT5E
Water SCHEMBL23522818 0.92 LMNA (0.39) LMNAENPP2TSHRALDH1A1NT5E
Water SCHEMBL14977045 0.90 LMNA (0.38) LMNAENPP2TSHRALDH1A1NT5E
SCHEMBL271881 0.88 TSHR (0.46) LMNAENPP2TSHRCA2ALDH1A1
SCHEMBL499291 0.85 ESR1 (0.42) LMNASENP1CA2ALDH1A1CA12
SCHEMBL10676586 0.84 CA12 (0.44) TSHRCA2ALDH1A1CA12CA1

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
EP-0891977-B1 5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers DLR EV (DE) 2003-01-29 — — EP disclosed
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
EP-0891977-A1 5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers DLR Deutsches Zentrum für Luft- und Raumfahrt e.V. (DE) 1999-01-20 — — EP disclosed
Send feedback