SCHEMBL8307472

SCHEMBL8307472

Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.70
LMNA P02545 7/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE7B Q9NP56 1/20 0.56
AR P10275 1/20 0.54
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.51
ALPG P10696 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
RORC P51449 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7607910 0.88 PDE7A (0.78) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL27581742 0.86 PDE7A (0.75) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL7607268 0.85 PDE7A (0.58) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL27581790 0.85 PDE7A (0.58) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL13240464 0.81 LMNA (0.73) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL8308859 0.80 PDE7A (1.00) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL27581731 0.80 PDE7A (0.67) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL8308443 0.80 PDE7A (0.63) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL7605579 0.80 PDE7A (0.67) PDE7ALMNAALDH1A1MAPTPDE4B
SCHEMBL7263676 0.79 ALDH1A1 (0.64) PDE7ALMNAALDH1A1MAPTPDE4B

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed