SCHEMBL8936743

SCHEMBL8936743

CNc1cc(Sc2ccc(Cl)cc2Cn2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.43
PDE7B Q9NP56 3/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
CCR4 P51679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
POLB P06746 3/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8936793 0.84 CCR1 (0.40) CCR1CCR2CCR4KMT2AF2
SCHEMBL8936788 0.81 PDE7A (0.46) PDE7APDE7BPDE4BPDE4DSMN1; SMN2
SCHEMBL8936796 0.80 PDE7A (0.47) PDE7APDE7BPDE4BPDE4DSMN1; SMN2
SCHEMBL8936771 0.80 TDP1 (0.41) PDE7ACCR1CCR2CCR4TDP1
SCHEMBL9201309 0.78 CCR1 (0.45) CCR1CCR2CCR4TDP1LMNA
SCHEMBL7450404 0.74 CCR1 (0.51) PDE7APDE7BPDE4BPDE4DCCR1
SCHEMBL8936741 0.71 CYP19A1 (0.46) CCR1CCR2CCR4KMT2AF2
SCHEMBL8936766 0.71 MAPT (0.41) PDE7ACCR1CCR2CCR4SMN1; SMN2
SCHEMBL8936748 0.70 PKM (0.41) KMT2AF10POLBPKMKDM4E
SCHEMBL9196269 0.69 CYP19A1 (0.43) SMN1; SMN2KMT2AMEN1PKMHTT

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