SCHEMBL7440932

SCHEMBL7440932

CCCCCc1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.67
PDE4B Q07343 3/20 0.67
PDE4D Q08499 11/20 0.51
PDE4C Q08493 6/20 0.50
TOP1 P11387 1/20 0.48
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CASP6 P55212 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7446525 0.99 PDE4A (0.66) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7444032 0.97 PDE4A (0.69) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7439484 0.92 PDE4A (0.71) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7450694 0.88 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441893 0.83 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7443615 0.83 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7439316 0.81 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7435677 0.81 PDE4A (0.85) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7438491 0.81 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CTRPV1
SCHEMBL3698956 0.81 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CTOP1

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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed