SCHEMBL8308899

SCHEMBL8308899

Nc1ccc(Sc2cccs2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.58
ITGB2 P05107 2/20 0.53
ICAM1 P05362 2/20 0.53
ITGAL P20701 2/20 0.53
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
FBP1 P09467 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX15 P16050 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL29199082 0.83 PDE7A (0.61) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL6264703 0.83 PDE7A (0.43) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL7187676 0.78 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL9724130 0.77 PDE7A (0.54) PDE7AALDH1A1NPSR1TSHRFBP1
SCHEMBL8309413 0.74 PDE7A (1.00) PDE7AALDH1A1MAPTKMT2AHSD17B10
SCHEMBL5253210 0.72 PDE7A (0.79) PDE7AITGB2ICAM1ITGALALDH1A1
Hydrochloric Acid SCHEMBL7615653 0.72 ITGB2 (0.70) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL4034133 0.71 FBP1 (0.54) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL7187848 0.71 PDE7A (1.00) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL7610324 0.71 ITGB2 (0.96) PDE7AITGB2ICAM1ITGALALDH1A1

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