SCHEMBL30648612

SCHEMBL30648612

O=C(O)/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)CCCCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.58
▸ FBP1 P09467 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ MAOB P27338 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43

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
SCHEMBL9293070 0.89 GLO1 (0.71) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL9293476 0.85 GLO1 (0.70) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL9293478 0.85 GLO1 (0.70) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL7279772 0.85 GLO1 (0.64) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL7483326 0.85 GLO1 (0.64) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL7281955 0.84 GLO1 (0.57) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL18832135 0.84 GLO1 (0.54) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL9293609 0.84 GLO1 (0.68) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL9293607 0.84 GLO1 (0.68) GLO1FBP1ALDH1A1KMT2AMEN1
SCHEMBL6177870 0.84 GLO1 (0.74) GLO1FBP1KMT2AMEN1NFE2L2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209418-A Preparation and purification method of high-purity nicardipine hydrochloride 华仁医学研究(安徽)有限公司 2023-12-12 — — CN disclosed
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