SCHEMBL8540513

SCHEMBL8540513

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.48
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
AGTR1 P30556 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ELANE P08246 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1H2 P55055 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 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
SCHEMBL8540675 0.94 MDM2 (0.46) MDM2ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8545284 0.92 MDM2 (0.43) MDM2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8538967 0.91 MDM2 (0.44) MDM2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8544760 0.91 MDM2 (0.42) MDM2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8541669 0.91 MDM2 (0.42) MDM2ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8545420 0.90 MDM2 (0.44) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8541910 0.90 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8541135 0.89 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8835372 0.89 MDM2 (0.45) MDM2ALDH1A1SMN1; SMN2MAPTAGTR1
SCHEMBL8541107 0.88 MDM2 (0.47) MDM2ALDH1A1SMN1; SMN2MAPTKMT2A

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