SCHEMBL28394941

SCHEMBL28394941

CCCC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OOC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ FBP1 P09467 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL7483326 0.84 GLO1 (0.64) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL7279772 0.84 GLO1 (0.64) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL7265045 0.80 GLO1 (0.73) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL8018753 0.79 GLO1 (0.90) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL10481004 0.78 GLO1 (0.67) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL11681247 0.77 GLO1 (0.82) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL11733751 0.77 GLO1 (0.61) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL6955232 0.77 GLO1 (0.61) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL10899685 0.75 GLO1 (0.61) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL7475824 0.75 GLO1 (0.78) GLO1ALDH1A1LMNAKMT2AKDM4E

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
CN-111072552-B Preparation method of cilnidipine 湖南九典制药股份有限公司 2021-06-04 — — CN claimed
CN-111072552-B Preparation method of cilnidipine 湖南九典制药股份有限公司 2021-06-04 — — CN disclosed
CN-111072552-A Preparation method of cilnidipine 湖南九典制药股份有限公司 2020-04-28 — — CN disclosed
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