SCHEMBL7823899

SCHEMBL7823899

COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(N2CCCCC2=O)C(O)C(C)(C)O3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 8/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ABCC8 Q09428 2/20 0.51
▸ KCNJ11 Q14654 2/20 0.51
▸ KCNJ8 Q15842 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL7823896 1.00 ABCC9 (0.51) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7823905 1.00 ABCC9 (0.51) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7823676 0.91 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7825500 0.91 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7825496 0.91 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7820140 0.90 ABCC9 (0.53) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7820143 0.90 ABCC9 (0.53) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7820142 0.90 ABCC9 (0.53) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7823229 0.90 ABCC9 (0.55) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7821027 0.90 ABCC9 (0.55) ABCC9LMNAABCC8KCNJ11KCNJ8

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 5 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-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 — — EP claimed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 — — WO 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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