SCHEMBL11780536

SCHEMBL11780536

CC(=O)Nc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 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
SCHEMBL11781708 0.93 MEN1 (0.48) MEN1KMT2AGAAGFERL3MBTL1
SCHEMBL11777201 0.88 GAA (0.45) MEN1KMT2AGAAL3MBTL1NPC1
SCHEMBL11783802 0.86 CISD1 (0.47) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL11841803 0.84 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL11780330 0.83 MEN1 (0.47) BDKRB1MEN1KMT2AGAAGFER
SCHEMBL11780992 0.82 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1PTPN1SMN1; SMN2
SCHEMBL11784962 0.81 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL11780616 0.80 PKM (0.59) BDKRB1MEN1KMT2AGAAGFER
SCHEMBL11842089 0.80 LMNA (0.51) MEN1KMT2AL3MBTL1PKMLMNA
SCHEMBL11782595 0.78 MEN1 (0.43) 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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