SCHEMBL8545442

SCHEMBL8545442

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.46
ELANE P08246 5/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8544978 0.91 MDM2 (0.42) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8545584 0.89 MDM2 (0.45) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8545517 0.86 MDM2 (0.49) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8538339 0.86 ELANE (0.47) MDM2ELANEKMT2AMEN1THRB
SCHEMBL8544976 0.82 MDM2 (0.45) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8541617 0.81 MDM2 (0.49) MDM2SMN1; SMN2ALDH1A1
SCHEMBL8545400 0.81 MDM2 (0.41) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8540513 0.80 MDM2 (0.48) MDM2ELANEKMT2AGAAMEN1
SCHEMBL8543479 0.80 MDM2 (0.43) MDM2
SCHEMBL8545284 0.80 MDM2 (0.43) MDM2ELANEKMT2AMEN1POLB

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