SCHEMBL6870358

SCHEMBL6870358

CCCC1NC(=O)N(c2c(Cl)cccc2Cl)C2=C1C(c1ccccc1Cl)=CC(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.36
ADCY2 Q08462 1/20 0.32
FFAR3 O14843 1/20 0.32

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
SCHEMBL6870360 0.69 MAPK14 (0.53) MAPK14
SCHEMBL11613569 0.60 KMT2A (0.48)
SCHEMBL17206979 0.58 GAA (0.51)
SCHEMBL13879413 0.58 MGLL (0.41) ADCY2
SCHEMBL29763773 0.55 CYP1A2 (0.57)
SCHEMBL11724977 0.54 MEN1 (0.41)
SCHEMBL8664646 0.54 ALDH1A1 (0.41)
SCHEMBL5952375 0.54 METAP1 (0.41)
SCHEMBL3422032 0.53 MEN1 (0.48) MAPK14
SCHEMBL12670455 0.53 PTPRC (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed