SCHEMBL8936788

SCHEMBL8936788

CNc1cc(Sc2ccc(Cl)cc2CCl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.46
PDE7B Q9NP56 3/20 0.46
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
IDO1 P14902 2/20 0.41
MAPT P10636 5/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PLA2G4A P47712 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8936796 0.90 PDE7A (0.47) PDE7APDE7BPDE4BPDE4DIDO1
SCHEMBL8936743 0.81 PDE7A (0.43) PDE7APDE7BPDE4BPDE4DIDO1
SCHEMBL487351 0.76 MAPK1 (0.58) MAPTPKMSMN1; SMN2TDP1L3MBTL1
SCHEMBL11758917 0.72 MEN1 (0.50) PDE7APDE7BPDE4BPDE4DMAPT
SCHEMBL67864 0.72 MAPK1 (0.60) PDE7APDE7BMAPTPKML3MBTL1
SCHEMBL7610147 0.70 IDO1 (0.53) PDE7APDE7BPDE4BPDE4DIDO1
SCHEMBL11757703 0.70 SLC6A4 (0.44) PDE7APDE7BMAPTKMT2AALDH1A1
SCHEMBL3196242 0.68 SLC6A4 (0.46) PDE7AIDO1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4963975 0.68 PDE7A (0.82) PDE7APDE7BPDE4BPDE4DMAPT
SCHEMBL1982270 0.68 L3MBTL1 (0.61) MAPTPKMSMN1; SMN2TDP1L3MBTL1

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