SCHEMBL9299536

SCHEMBL9299536

CCOC(=O)c1ccn([C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2COS(C)(=O)=O)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.42
KCNE1 P15382 4/20 0.42
KCNQ1 P51787 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
KCND3 Q9UK17 1/20 0.42
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 6/20 0.40

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
SCHEMBL9299533 1.00 ABCC9 (0.42) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9299530 1.00 ABCC9 (0.42) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300106 0.89 ABCC9 (0.43) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300099 0.89 ABCC9 (0.43) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300109 0.89 ABCC9 (0.43) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300265 0.87 ABCC9 (0.53) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300262 0.87 ABCC9 (0.53) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300267 0.87 ABCC9 (0.53) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9299706 0.77 ABCC9 (0.50) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9300292 0.77 ABCC9 (0.50) ABCC9KCNE1KCNQ1CYP1A2CYP2D6

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-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed