SCHEMBL9429056

SCHEMBL9429056

O=S(=O)(O)c1cc(C2=C3C=CC(=N3)C(c3ccc(O)c(S(=O)(=O)O)c3)=C3C=CC(=N3)C(c3ccc(O)c(S(=O)(=O)O)c3)=C3C=CC(=N3)C(c3ccc(O)c(S(=O)(=O)O)c3)=C3C=CC2=N3)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ EGFR P00533 1/20 0.34
▸ COMT P21964 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ HPGDS O60760 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ NQO1 P15559 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
SCHEMBL9429760 0.84 TET2 (0.37) —
SCHEMBL9429538 0.80 FABP3 (0.33) —
SCHEMBL9429348 0.80 GSK3B (0.40) LMNAHIF1AMEN1MAPTKMT2A
SCHEMBL1535883 0.76 HSD17B10 (0.52) HSD17B10LMNAHPGDHIF1AEGFR
SCHEMBL267948 0.76 LMNA (0.41) HSD17B10LMNAHPGDMAPTALDH1A1
Water SCHEMBL23522818 0.74 LMNA (0.39) HSD17B10LMNAHPGDMAPTALDH1A1
SCHEMBL17768421 0.74 LMNA (0.39) HSD17B10LMNAHPGDMAPTALDH1A1
SCHEMBL15004685 0.74 LMNA (0.39) HSD17B10LMNAHPGDMAPTALDH1A1
Potassium SCHEMBL30364442 0.74 HSD17B10 (0.50) HSD17B10LMNAHPGDHIF1AEGFR
SCHEMBL28993725 0.74 HSD17B10 (0.50) HSD17B10LMNAHPGDHIF1AEGFR

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-5284647-A Administering for magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
EP-0336879-A1 Meso-tetraphenylporphyrin complex compounds,process for their preparation and pharmaceuticals containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-11 — — EP disclosed
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