SCHEMBL11780362

SCHEMBL11780362

CC(=O)Nc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SLC25A1 P53007 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ACLY P53396 2/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ PDE7A Q13946 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ HCAR3 P49019 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11846360 0.84 PKM (0.60) PKML3MBTL1SLC25A1SMN1; SMN2LMNA
SCHEMBL11780616 0.83 PKM (0.59) PKML3MBTL1SMN1; SMN2LMNACRHBP
SCHEMBL11847710 0.78 HCAR3 (0.47) SLC25A1LMNATSHRPOLBHCAR3
SCHEMBL28945979 0.76 MAPT (0.44) SLC25A1LMNATSHRPOLBHCAR3
SCHEMBL30241160 0.76 MAPT (0.44) SLC25A1LMNATSHRPOLBHCAR3
SCHEMBL7826598 0.74 VCAM1 (0.49) LMNATSHRPOLBHCAR3MAPT
SCHEMBL135289 0.72 CASP6 (0.47) LMNATSHRPOLBHCAR3MAPT
Methylamine SCHEMBL11877019 0.71 TSHR (0.44) LMNATSHRPOLBHCAR3MAPT
SCHEMBL11802836 0.71 GAA (0.57) LMNAHCAR3MAPT
SCHEMBL31108456 0.71 ALDH1A1 (0.57) LMNATSHRPOLBHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3939267-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-02-17 — — US disclosed
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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