SCHEMBL8540675

SCHEMBL8540675

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.46
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
ELANE P08246 1/20 0.37
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 3/20 0.35
SIRT3 Q9NTG7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 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
SCHEMBL8540513 0.94 MDM2 (0.48) MDM2ALDH1A1MAPTELANEKMT2A
SCHEMBL8545284 0.94 MDM2 (0.43) MDM2ALDH1A1MAPTELANEKMT2A
SCHEMBL8544760 0.92 MDM2 (0.42) MDM2ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8540708 0.91 MDM2 (0.42) MDM2ALDH1A1MAPTELANEKMT2A
SCHEMBL8541669 0.89 MDM2 (0.42) MDM2ALDH1A1MAPTELANELMNA
SCHEMBL8545420 0.88 MDM2 (0.44) MDM2ALDH1A1MAPTKMT2ALMNA
SCHEMBL8538967 0.86 MDM2 (0.44) MDM2ALDH1A1MAPTELANEKMT2A
SCHEMBL8546095 0.85 MDM2 (0.39) MDM2ALDH1A1MAPTELANEKMT2A
SCHEMBL8541107 0.85 MDM2 (0.47) MDM2ALDH1A1MAPTKMT2ALMNA
SCHEMBL8541135 0.84 MDM2 (0.43) MDM2ALDH1A1MAPTELANEKMT2A

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