SCHEMBL8546995

SCHEMBL8546995

COC(=O)c1c(NCC(=O)c2ccc(F)c(F)c2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.43
MDM2 Q00987 5/20 0.42
MAPK9 P45984 1/20 0.34

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
SCHEMBL8543479 0.92 MDM2 (0.43) MAPK8MDM2MAPK9
SCHEMBL8538384 0.91 MAPK8 (0.42) MAPK8MDM2MAPK9
SCHEMBL8543207 0.90 MAPK8 (0.45) MAPK8MDM2MAPK9
SCHEMBL8541617 0.88 MDM2 (0.49) MAPK8MDM2MAPK9
SCHEMBL8538382 0.83 MAPK8 (0.42) MAPK8MDM2MAPK9
SCHEMBL8539840 0.83 MAPK8 (0.41) MAPK8MDM2
SCHEMBL8544319 0.81 MAPK8 (0.44) MAPK8MDM2MAPK9
SCHEMBL8545340 0.79 MDM2 (0.45) MAPK8MDM2MAPK9
SCHEMBL8539838 0.75 MDM2 (0.42) MAPK8MDM2MAPK9
SCHEMBL8545442 0.74 MDM2 (0.46) 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