SCHEMBL8325229

SCHEMBL8325229

CS(=O)(=O)c1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 1.00
MAPK13 O15264 2/20 1.00
RAF1 P04049 2/20 1.00
MAPK9 P45984 2/20 1.00
MAPK12 P53778 2/20 1.00
MAPK11 Q15759 2/20 1.00
GCGR P47871 13/20 0.75
MAPK8 P45983 1/20 0.67

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
SCHEMBL15070423 0.88 MAPK14 (0.78) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL2662559 0.87 GCGR (1.00) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL8322140 0.81 MAPK14 (0.68) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6586611 0.80 GCGR (0.86) MAPK14GCGR
SCHEMBL2647604 0.80 GCGR (1.00) MAPK14GCGR
SCHEMBL8119445 0.80 MAPK14 (0.75) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL13130596 0.80 MAPK14 (0.75) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL2647090 0.80 MAPK14 (0.75) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL7841415 0.80 MAPK13 (0.66) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL2647609 0.80 GCGR (0.79) MAPK14MAPK13RAF1MAPK9MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871444-A4 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-01-13 EP claimed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP claimed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO claimed
US-5837719-A USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1998-11-17 US disclosed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed