SCHEMBL8545338

SCHEMBL8545338

COC(=O)c1c(N(C)CC(=O)c2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.49
MAPK8 P45983 15/20 0.43
MAPK9 P45984 1/20 0.40

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
SCHEMBL8539838 0.91 MDM2 (0.42) MDM2MAPK8MAPK9
SCHEMBL8544317 0.90 MAPK8 (0.44) MDM2MAPK8MAPK9
SCHEMBL8538382 0.88 MAPK8 (0.42) MDM2MAPK8MAPK9
SCHEMBL8541617 0.82 MDM2 (0.49) MDM2MAPK8MAPK9
SCHEMBL8540090 0.81 MDM2 (0.47) MDM2
SCHEMBL8544976 0.81 MDM2 (0.45) MDM2
SCHEMBL8545340 0.81 MDM2 (0.45) MDM2MAPK8MAPK9
SCHEMBL8545397 0.79 MDM2 (0.44) MDM2
SCHEMBL8538965 0.79 MDM2 (0.46) MDM2
SCHEMBL8545025 0.78 ELANE (0.45) MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed