SCHEMBL8545119

SCHEMBL8545119

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.41
ABCB1 P08183 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
LMNA P02545 2/20 0.32
ELANE P08246 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31

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 0.80 MDM2 (0.46) MDM2TP53ALDH1A1POLBLMNA
SCHEMBL8540936 0.80 NR1H2 (0.45) MDM2TP53ALDH1A1LMNA
SCHEMBL8540513 0.80 MDM2 (0.48) MDM2TP53ALDH1A1LMNAELANE
SCHEMBL8538967 0.78 MDM2 (0.44) MDM2ALDH1A1LMNAELANECRHBP
SCHEMBL8540708 0.78 MDM2 (0.42) MDM2TP53ALDH1A1LMNAELANE
SCHEMBL8190870 0.78 MDM2 (0.42) MDM2TP53ALDH1A1POLBLMNA
SCHEMBL5411620 0.78 MDM2 (0.42) MDM2TP53ALDH1A1POLBLMNA
SCHEMBL8545284 0.78 MDM2 (0.43) MDM2ALDH1A1POLBLMNAELANE
SCHEMBL8542135 0.78 MDM2 (0.45) MDM2TP53CRHBPCRHR2
SCHEMBL8545420 0.77 MDM2 (0.44) MDM2TP53ALDH1A1POLBLMNA

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