SCHEMBL8545584

SCHEMBL8545584

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.45
ELANE P08246 2/20 0.37
MAP2K4 P45985 1/20 0.37
NR1H2 P55055 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 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
SCHEMBL8545400 0.91 MDM2 (0.41) MDM2ELANEMAP2K4NR1H2KMT2A
SCHEMBL8545442 0.89 MDM2 (0.46) MDM2ELANENR1H2KMT2AMEN1
SCHEMBL8545517 0.85 MDM2 (0.49) MDM2ELANENR1H2KMT2AMEN1
SCHEMBL8538339 0.84 ELANE (0.47) MDM2ELANEKMT2AMEN1
SCHEMBL8545397 0.82 MDM2 (0.44) MDM2ELANEMAP2K4NR1H2KMT2A
SCHEMBL8544978 0.81 MDM2 (0.42) MDM2ELANENR1H2KMT2AMEN1
SCHEMBL8544760 0.80 MDM2 (0.42) MDM2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL8541617 0.80 MDM2 (0.49) MDM2SMN1; SMN2NPC1RAB9A
SCHEMBL8540513 0.79 MDM2 (0.48) MDM2ELANENR1H2KMT2AMEN1
SCHEMBL8545030 0.76 ELANE (0.46) MDM2ELANEKMT2AMEN1

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