SCHEMBL9300264

SCHEMBL9300264

CC(=O)OC1C(n2ccc(C(C)O[N+](=O)[O-])cc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.42
ABCB1 P08183 16/20 0.42
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL9300272 0.91 ABCB1 (0.44) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9299366 0.90 ABCC9 (0.50) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9299638 0.87 ABCB1 (0.46) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9299631 0.87 ABCB1 (0.46) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9299636 0.87 ABCB1 (0.46) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9300139 0.87 KDM4E (0.34) CYP2C19LMNA
SCHEMBL9301123 0.86 ABCB1 (0.43) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9301116 0.86 ABCB1 (0.43) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9301120 0.86 ABCB1 (0.43) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9301067 0.86 ABCB1 (0.39) ABCC9ABCB1ABCC8KCNJ11KCNJ8

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