SCHEMBL8936796

SCHEMBL8936796

CNc1cc(Sc2ccc(Cl)cc2CO)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.47
PDE7B Q9NP56 3/20 0.47
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
IDO1 P14902 2/20 0.42
SLC6A4 P31645 1/20 0.41
BCL2L1 Q07817 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PLA2G4A P47712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 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
SCHEMBL8936788 0.90 PDE7A (0.46) PDE7APDE7BMAPTALDH1A1PDE4B
SCHEMBL8936743 0.80 PDE7A (0.43) PDE7APDE7BMAPTPDE4BPDE4D
SCHEMBL487351 0.75 MAPK1 (0.58) MAPTALDH1A1POLBPKMSMN1; SMN2
SCHEMBL68181 0.72 TSHR (0.58) PDE7AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL11755568 0.70 SLC6A4 (0.54) PDE7APDE7BMAPTALDH1A1SLC6A4
SCHEMBL7610147 0.69 IDO1 (0.53) PDE7APDE7BALDH1A1PDE4BPDE4D
SCHEMBL4440726 0.69 SLC6A4 (0.66) MAPTALDH1A1IDO1SLC6A4SMN1; SMN2
SCHEMBL11882141 0.68 SLC6A4 (0.55) PDE7AMAPTIDO1SLC6A4SMN1; SMN2
SCHEMBL11754966 0.68 RHEB (0.50) PDE7APDE7BMAPTSLC6A4L3MBTL1
SCHEMBL4963975 0.67 PDE7A (0.82) PDE7APDE7BMAPTALDH1A1PDE4B

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-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed