SCHEMBL7821028

SCHEMBL7821028

CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.55
▸ ABCC8 Q09428 2/20 0.55
▸ KCNJ11 Q14654 2/20 0.55
▸ KCNJ8 Q15842 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KCNA5 P22460 1/20 0.41
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.36

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
SCHEMBL7823229 1.00 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7821027 1.00 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7820140 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7821675 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7820143 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7818738 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7818735 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7820142 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7822126 0.90 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7819728 0.90 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 — — EP claimed
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 — — EP disclosed
US-5905156-A POTASSIUM CHANNEL ACTIVATORS AND BRONCHODILATORS NOVARTIS AG (CH) 1999-05-18 — — US disclosed
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