SCHEMBL7786197

SCHEMBL7786197

Fc1ccc(-c2c(-c3ccccn3)nc3n2CCS3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 1.00
MAPK14 Q16539 11/20 0.66
MAPK13 O15264 3/20 0.66
MAPK12 P53778 3/20 0.66
MAPK11 Q15759 3/20 0.66
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.45
PRCP P42785 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7379205 0.90 TGFBR1 (0.82) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL11502937 0.86 TGFBR1 (0.74) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7762981 0.82 TGFBR1 (0.68) TGFBR1MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL11369989 0.82 TDP1 (0.87) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7378916 0.80 MAPK14 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL146947 0.80 MAPK14 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
Dimethylamine SCHEMBL9436026 0.79 MAPK14 (0.71) TGFBR1MAPK14MAPK13MAPK12MAPK11
Dimethylamine SCHEMBL9436089 0.79 MAPK14 (0.71) TGFBR1MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL170802 0.79 KDM4E (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7784464 0.77 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140129-A1 HUMAN MAD PROTEINS AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035470-A1 HUMAN MAD PROTEINS AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5317019-A Antiinflammatory agents SMITHKLINE BEECHAM CORP. (US) 1994-05-31 US disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0403251-A2 Monokine activity interference SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed