SCHEMBL7822798

SCHEMBL7822798

CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.51
▸ ABCC8 Q09428 2/20 0.51
▸ KCNJ11 Q14654 2/20 0.51
▸ KCNJ8 Q15842 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SERPINE1 P05121 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL7822793 1.00 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7822791 1.00 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7827620 0.91 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7827623 0.91 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7823779 0.91 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7820143 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7820140 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7820142 0.91 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7818735 0.89 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL7818738 0.89 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9

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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