SCHEMBL8540708

SCHEMBL8540708

CCOC(=O)c1c(NCCC(=O)c2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
ALDH1A1 P00352 10/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CXCR3 P49682 1/20 0.34
PTGS2 P35354 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8538967 0.95 MDM2 (0.44) MDM2ALDH1A1MAPTKMT2AHPGD
SCHEMBL8546095 0.94 MDM2 (0.39) MDM2ALDH1A1MAPTKMT2AELANE
SCHEMBL8540741 0.93 MDM2 (0.38) MDM2ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL8540675 0.91 MDM2 (0.46) MDM2ALDH1A1MAPTKMT2AHPGD
SCHEMBL8541910 0.90 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2AHPGD
SCHEMBL8545614 0.89 MDM2 (0.38) MDM2ALDH1A1MAPTHPGDTSHR
SCHEMBL8547269 0.88 MDM2 (0.40) MDM2ALDH1A1MAPTKMT2ATSHR
SCHEMBL8540513 0.86 MDM2 (0.48) MDM2ALDH1A1MAPTKMT2AHPGD
SCHEMBL8545284 0.85 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2ALMNA
SCHEMBL8543997 0.85 MDM2 (0.43) MDM2ALDH1A1MAPTKMT2ATSHR

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