SCHEMBL5576187

SCHEMBL5576187

COc1cc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.46
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CXCL12 P48061 1/20 0.39
▸ FYN P06241 5/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCND3 P30281 2/20 0.39
▸ KDR P35968 2/20 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
SCHEMBL2951395 0.89 ALOX5 (0.43) POLBPARP1GAAGFER
SCHEMBL28088109 0.84 APP (0.39) GAAADORA2AADORA1
SCHEMBL9429841 0.84 MGAM (0.39) PARP1SMPD3GAA
SCHEMBL2950385 0.84 BRD4 (0.40) POLBPARP1GAA
SCHEMBL29148788 0.82 AMY1A (0.43) NOX1SMPD3GAAGFER
SCHEMBL5576182 0.82 STAT3 (0.51) NOX1CYP1A1CYP1A2CYP1B1POLB
SCHEMBL31471705 0.81 CDC25A (0.37) PARP1GAACDK4CCND1
SCHEMBL29915582 0.80 GABRA1 (0.36) GAACDK4CCNA2CCND1CDK2
SCHEMBL8003382 0.80 NPC1 (0.40) NOX1POLBSMPD3GAAGFER
SCHEMBL28442526 0.80 NPC1 (0.40) NOX1POLBSMPD3GAAGFER

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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