SCHEMBL5576182

SCHEMBL5576182

COc1cc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ NOX1 Q9Y5S8 2/20 0.44
▸ RIPK1 Q13546 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMPD3 Q9NY59 3/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ KDR P35968 1/20 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
SCHEMBL2951397 0.90 STAT3 (0.54) STAT3STAT1GAAALDH1A1PARP1
SCHEMBL8189718 0.87 STAT3 (0.49) STAT3STAT1GAAALDH1A1CYP1A1
SCHEMBL8189722 0.87 STAT3 (0.49) STAT3STAT1GAAALDH1A1CYP1A1
SCHEMBL9429844 0.85 STAT3 (0.52) STAT3STAT1GAASMPD3KDM4E
SCHEMBL2950389 0.85 STAT3 (0.54) STAT3STAT1GAAALDH1A1PARP1
SCHEMBL32662346 0.84 NOX1 (0.49) NOX1RIPK1GAAALDH1A1CYP1A1
SCHEMBL2694939 0.84 NOX1 (0.49) NOX1RIPK1GAAALDH1A1CYP1A1
SCHEMBL29825428 0.83 NOX1 (0.48) NOX1RIPK1GAAALDH1A1CYP1A1
SCHEMBL10444656 0.83 NOX1 (0.48) NOX1RIPK1GAAALDH1A1CYP1A1
SCHEMBL5576187 0.82 NOX1 (0.46) NOX1RIPK1GAACYP1A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4329742-A1 COMPOSITIONS COMPRISING EPA AND METHODS OF USING THE SAME FOR TREATING AND/OR PREVENTING ENDOTHELIAL DYSFUNCTION IN A SUBJECT Amarin Pharmaceuticals Ireland Limited (IE) 2024-03-06 — — EP disclosed
WO-2022232633-A1 COMPOSITIONS COMPRISING EPA AND METHODS OF USING THE SAME FOR TREATING AND/OR PREVENTING ENDOTHELIAL DYSFUNCTION IN A SUBJECT AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2022-11-03 — — WO disclosed
US-7291503-B2 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-06 — — US disclosed
US-20040235184-A1 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-11-25 — — US disclosed
US-6287452-B1 METAL OXIDE DUKE UNIVERSITY 2001-09-11 — — US disclosed
US-5980705-A DETECTING NITRIC OXIDE HAVING SURFACE REGION FORMED OF METAL WHICH COMPLEXES WITH NITRIC OXIDE WHEN EXPOSED TO FLUID CONTAINING NITRIC OXIDE; IN BIOLOGICAL SAMPLES DUKE UNIVERSITY (US) 1999-11-09 — — US disclosed
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