SCHEMBL8539838

SCHEMBL8539838

COC(=O)c1c(N(C)CC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
MAPK8 P45983 10/20 0.42
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
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
SCHEMBL8538382 0.92 MAPK8 (0.42) MDM2MAPK8MAPK9
SCHEMBL8545338 0.91 MDM2 (0.49) MDM2MAPK8MAPK9
SCHEMBL8544317 0.91 MAPK8 (0.44) MDM2MAPK8MAPK9
SCHEMBL8543479 0.83 MDM2 (0.43) MDM2MAPK8IDO1MAPK9
SCHEMBL8539840 0.81 MAPK8 (0.41) MDM2MAPK8IDO1ALDH1A1
SCHEMBL8544976 0.79 MDM2 (0.45) MDM2ALDH1A1
SCHEMBL8546091 0.79 MDM2 (0.42) MDM2IDO1KDM4EALDH1A1
SCHEMBL8546995 0.75 MAPK8 (0.43) MDM2MAPK8MAPK9
SCHEMBL8540705 0.74 MDM2 (0.45) MDM2KDM4EALDH1A1
SCHEMBL8538384 0.74 MAPK8 (0.42) MDM2MAPK8ALDH1A1MAPK9

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