SCHEMBL8538967

SCHEMBL8538967

CCOC(=O)c1c(NCCC(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1H2 P55055 3/20 0.35
CYP1A2 P05177 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8541910 0.95 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8540708 0.95 MDM2 (0.42) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8546095 0.92 MDM2 (0.39) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8540513 0.91 MDM2 (0.48) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8540741 0.91 MDM2 (0.38) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8545614 0.91 MDM2 (0.38) MDM2ALDH1A1MAPTHPGDELANE
SCHEMBL8547269 0.89 MDM2 (0.40) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8543997 0.88 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8541135 0.88 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8540094 0.87 MDM2 (0.44) MDM2ALDH1A1MAPTKMT2AMEN1

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