SCHEMBL8545340

SCHEMBL8545340

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.45
MAPK8 P45983 13/20 0.43
MAPK9 P45984 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK10 P53779 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8539840 0.91 MAPK8 (0.41) MDM2MAPK8ALDH1A1MAPTMEN1
SCHEMBL8541617 0.91 MDM2 (0.49) MDM2MAPK8MAPK9ALDH1A1
SCHEMBL8544319 0.91 MAPK8 (0.44) MDM2MAPK8MAPK9ALDH1A1MAPT
SCHEMBL8538384 0.89 MAPK8 (0.42) MDM2MAPK8MAPK9ALDH1A1MAPT
SCHEMBL8540094 0.83 MDM2 (0.44) MDM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8544978 0.82 MDM2 (0.42) MDM2ALDH1A1MAPTMEN1POLB
SCHEMBL8543479 0.82 MDM2 (0.43) MDM2MAPK8MAPK9
SCHEMBL8543207 0.81 MAPK8 (0.45) MDM2MAPK8MAPK9
SCHEMBL8918752 0.81 MDM2 (0.51) MDM2MAPK8MAPK9ALDH1A1MAPT
SCHEMBL8545400 0.81 MDM2 (0.41) MDM2ALDH1A1MAPTMEN1KMT2A

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