SCHEMBL11780616

SCHEMBL11780616

CC(=O)Nc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.59
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ GAA P10253 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ ALDH3A1 P30838 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ BDKRB1 P46663 1/20 0.44
▸ HCAR3 P49019 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL11778823 0.86 MAPT (0.58) MAPTLMNAGAAL3MBTL1ALDH3A1
SCHEMBL11780330 0.84 MEN1 (0.47) PKMMAPTLMNAGAAKMT2A
SCHEMBL11780362 0.83 PKM (0.65) PKMMAPTLMNAL3MBTL1TDP1
SCHEMBL11783509 0.83 MAPT (0.60) MAPTLMNAGAAL3MBTL1ALDH3A1
SCHEMBL11852448 0.82 HCAR3 (0.54) MAPTLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL11780536 0.80 BDKRB1 (0.41) PKMLMNAGAAL3MBTL1ALDH1A1
SCHEMBL11846360 0.80 PKM (0.60) PKMMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL11777201 0.76 GAA (0.45) MAPTLMNAGAAL3MBTL1ALDH1A1
SCHEMBL2883308 0.74 HCAR3 (0.55) MAPTLMNAALDH1A1TDP1KMT2A
SCHEMBL11783471 0.73 MEN1 (0.53) MAPTLMNAGAAL3MBTL1ALDH1A1

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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