SCHEMBL9868077

SCHEMBL9868077

O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 12/20 0.77
PTGS1 P23219 1/20 0.70
TBXAS1 P24557 1/20 0.70
MAPK1 P28482 1/20 0.70
PTGS2 P35354 1/20 0.70
MAPK14 Q16539 1/20 0.70
PARG Q86W56 3/20 0.66
TMPRSS4 Q9NRS4 1/20 0.65
ACLY P53396 1/20 0.61
CTSD P07339 1/20 0.58
PNLIP P16233 1/20 0.56

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
Hydrochloric Acid SCHEMBL11777767 0.98 STK39 (0.75) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL29375129 0.89 PTGS1 (0.77) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL649911 0.89 PTGS1 (0.77) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL8672680 0.88 PTGS1 (0.71) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL25413048 0.84 PTGS1 (0.71) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL10457403 0.84 PARG (0.71) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL11692717 0.84 PTGS1 (0.71) STK39PTGS1TBXAS1MAPK1PTGS2
SCHEMBL5658052 0.83 PTGS1 (0.64) STK39PTGS1TBXAS1MAPK1PTGS2
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL29367227 0.83 PTGS1 (1.00) STK39PTGS1TBXAS1MAPK1PTGS2
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL168748 0.83 PTGS1 (1.00) STK39PTGS1TBXAS1MAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed