SCHEMBL11781708

SCHEMBL11781708

CC(=O)Nc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ GFER P55789 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ APAF1 O14727 1/20 0.41

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
SCHEMBL11780536 0.93 BDKRB1 (0.41) MEN1KMT2AGAAGFERL3MBTL1
SCHEMBL11841803 0.91 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1GPR55MAPT
SCHEMBL11783802 0.89 CISD1 (0.47) MEN1KMT2AGAAL3MBTL1PTPN1
SCHEMBL11784962 0.88 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1GPR55MAPT
SCHEMBL11782595 0.84 MEN1 (0.43) MEN1KMT2AGAAGFERL3MBTL1
SCHEMBL11782600 0.84 MEN1 (0.43) MEN1KMT2AGAAGFERL3MBTL1
SCHEMBL11777201 0.81 GAA (0.45) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL11780992 0.80 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1PTPN1GPR55
SCHEMBL11845448 0.80 ALOX15 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11783471 0.79 MEN1 (0.53) MEN1KMT2AGAAGFERL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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