SCHEMBL7823779

SCHEMBL7823779

CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)[C@H](N1CCCCC1=O)[C@@H](O)C(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ABCC8 Q09428 2/20 0.49
▸ KCNJ11 Q14654 2/20 0.49
▸ KCNJ8 Q15842 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NR1H3 Q13133 1/20 0.36
▸ CACNA1B Q00975 1/20 0.35
▸ KCNA5 P22460 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL7827623 1.00 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7827620 1.00 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7822793 0.91 ABCC9 (0.51) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7822798 0.91 ABCC9 (0.51) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7822791 0.91 ABCC9 (0.51) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7821028 0.89 ABCC9 (0.55) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7821027 0.89 ABCC9 (0.55) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7823229 0.89 ABCC9 (0.55) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7825496 0.87 ABCC9 (0.49) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL7825500 0.87 ABCC9 (0.49) 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 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
Send feedback