SCHEMBL11308852

SCHEMBL11308852

C=CC(O)Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11202237 0.78 PDE7A (0.49) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11357956 0.75 MAPT (0.49) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11352637 0.75 MAPT (0.49) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL30886771 0.74 PDE7A (0.51) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2593514 0.74 PDE7A (0.51) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3715267 0.72 MAPT (0.53) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL20499480 0.72 ALDH1A1 (0.57) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL4601122 0.72 PDE7A (0.43) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3258908 0.71 CYP1A2 (0.50) MAPTALDH1A1MEN1KMT2ASLC6A2
SCHEMBL7924853 0.71 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E

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
US-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
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