SCHEMBL11615968

SCHEMBL11615968

Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(CCOc2cccc3ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.48
▸ PTGES O14684 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 4/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ APLNR P35414 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL11599847 0.74 MAPT (0.49) MAPTKMT2AALOX15MEN1ALOX12
SCHEMBL11615175 0.74 MAPT (0.52) MAPTKMT2AALOX15MEN1SMN1; SMN2
SCHEMBL11615774 0.73 KMT2A (0.53) MAPTKMT2AALOX15MEN1GAA
SCHEMBL11619950 0.72 LMNA (0.55) MAPTKMT2AALOX15MEN1GAA
SCHEMBL11613653 0.72 MAPT (0.52) MAPTKMT2AALOX15MEN1CYP1A2
SCHEMBL11618190 0.70 RAB9A (0.47) MAPTKMT2AALOX15GAASMN1; SMN2
SCHEMBL2885963 0.67 ALOX5 (0.63) ALOX5PTGESMAPTKMT2AALOX15
SCHEMBL27916403 0.67 ALOX5 (1.00) ALOX5PTGESMAPTKMT2AMEN1
SCHEMBL28013947 0.67 KCNA3 (0.66) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL11614091 0.67 MAPT (0.43) MAPTKMT2AALOX15GAAALDH1A1

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
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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