SCHEMBL8546220

SCHEMBL8546220

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.43
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ELANE P08246 1/20 0.33
NR1H2 P55055 1/20 0.33
P2RY12 Q9H244 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL8541912 0.90 MDM2 (0.45) MDM2MAPTKDM4EGAAMAPK1
SCHEMBL8541127 0.89 MDM2 (0.44) MDM2MAPTKDM4EGAAMAPK1
SCHEMBL8540513 0.85 MDM2 (0.48) MDM2MAPTKDM4EGAARAB9A
SCHEMBL8538967 0.83 MDM2 (0.44) MDM2MAPTKDM4EMEN1KMT2A
SCHEMBL8835372 0.83 MDM2 (0.45) MDM2MAPTKDM4EGAAMEN1
SCHEMBL8541910 0.82 MDM2 (0.43) MDM2MAPTKDM4EMEN1KMT2A
SCHEMBL8836007 0.80 MDM2 (0.43) MDM2KDM4EMEN1KMT2AHPGD
SCHEMBL8540675 0.79 MDM2 (0.46) MDM2MAPTKDM4EGAARAB9A
SCHEMBL8540936 0.79 NR1H2 (0.45) MDM2MAPTKDM4EMEN1KMT2A
SCHEMBL8836014 0.79 MDM2 (0.46) MDM2MAPTKDM4ENPSR1ALDH1A1

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 4 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-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