SCHEMBL8544978

SCHEMBL8544978

CCOC(=O)c1c(NCCC(=O)c2ccccc2)c2ccc(F)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
ELANE P08246 5/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
NR1H2 P55055 1/20 0.35
TOP2A P11388 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8545442 0.91 MDM2 (0.46) MDM2ELANEALDH1A1KMT2AGAA
SCHEMBL8545400 0.90 MDM2 (0.41) MDM2ELANEALDH1A1MAPTKMT2A
SCHEMBL8540094 0.87 MDM2 (0.44) MDM2ELANEALDH1A1MAPTKMT2A
SCHEMBL8545030 0.86 ELANE (0.46) MDM2ELANEALDH1A1MAPTKMT2A
SCHEMBL8545340 0.82 MDM2 (0.45) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8545584 0.81 MDM2 (0.45) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8539840 0.81 MAPK8 (0.41) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8538967 0.81 MDM2 (0.44) MDM2ELANEALDH1A1MAPTKMT2A
SCHEMBL8544976 0.80 MDM2 (0.45) MDM2ELANEALDH1A1MAPTKMT2A
SCHEMBL8544319 0.80 MAPK8 (0.44) MDM2ALDH1A1MAPT

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