SCHEMBL7506891

SCHEMBL7506891

CC(Br)C(=O)c1c(C(C)C)nn2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.79
PDE5A O76074 6/20 0.79
PDE3A Q14432 4/20 0.79
MIF P14174 2/20 0.79
ALDH1A1 P00352 2/20 0.79
MEN1 O00255 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
TSHR P16473 1/20 0.79
PDE4A P27815 1/20 0.79
ADORA2A P29274 1/20 0.79
ADORA1 P30542 1/20 0.79
CYP2C19 P33261 1/20 0.79
BLM P54132 1/20 0.79
KMT2A Q03164 1/20 0.79
PDE4C Q08493 1/20 0.79
PDE4D Q08499 1/20 0.79
PDE3B Q13370 1/20 0.79

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
Ibudilast SCHEMBL30390 0.88 PDE4B (1.00) PDE4BPDE5APDE3AMIFALDH1A1
Ibudilast SCHEMBL4194864 0.88 PDE4B (1.00) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL3203334 0.87 PDE4B (0.81) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL653193 0.86 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
Ibudilast SCHEMBL1123689 0.86 PDE4B (0.94) PDE4BPDE5APDE3AMIFALDH1A1
Ibudilast SCHEMBL1123688 0.86 PDE4B (0.94) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL652753 0.86 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL652912 0.86 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
SCHEMBL10033623 0.86 PDE4B (0.79) PDE4BPDE5APDE3AMIFALDH1A1
Hydrochloric Acid SCHEMBL652575 0.84 PDE4B (0.77) PDE4BPDE5APDE3AMIFALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989129-B1 PYRAZOLOPYRIDYLPYRIDAZINONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KYORIN SEIYAKU KK (JP) 2002-12-11 EP disclosed
US-6265577-B1 PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS KYORIN PHARMACEUTICALS CO., LTD. (JP) 2001-07-24 US disclosed
US-6077842-A TREATING MAMMAL HAVING PRECANCEROUS LESIONS BY ADMINISTERING GROWTH INHIBITING COMPOUND CELL PATHWAYS, INC. (US) 2000-06-20 US disclosed
EP-0989129-A1 PYRAZOLOPYRIDYLPYRIDAZINONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-03-29 EP disclosed