SCHEMBL10988257

SCHEMBL10988257

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.51
▸ RAB9A P51151 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ FBP1 P09467 1/20 0.41

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
SCHEMBL10896764 0.81 GLO1 (0.61) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL10896757 0.81 GLO1 (0.61) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL10983993 0.80 GLO1 (0.66) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL10983080 0.77 GLO1 (0.59) GLO1MAPTALDH1A1NPC1L3MBTL1
SCHEMBL9433401 0.74 MAPT (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9434245 0.74 MAPT (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL11564904 0.73 GLO1 (0.63) GLO1MAPTALDH1A1NPC1CYP1A2
SCHEMBL9433707 0.72 GLO1 (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL9433701 0.72 GLO1 (0.64) GLO1RAB9AMAPTALDH1A1NPC1
SCHEMBL10982646 0.70 GLO1 (0.59) GLO1MAPTALDH1A1L3MBTL1CYP1A2

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
US-4551467-A Vasodilating cyanoalkyl esters of 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 — — US disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 — — US disclosed
US-4162321-A Sulphur-containing amino-dihydropyridines, and their use as medicants BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 — — US disclosed
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