SCHEMBL8540705

SCHEMBL8540705

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.45
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.36
ELANE P08246 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8538965 0.94 MDM2 (0.46) MDM2ALDH1A1TP53ELANELMNA
SCHEMBL8546091 0.94 MDM2 (0.42) MDM2ALDH1A1MAPTTP53ELANE
SCHEMBL8540739 0.92 MDM2 (0.41) MDM2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8545611 0.89 MDM2 (0.41) MDM2ALDH1A1MAPTTP53ELANE
SCHEMBL8547263 0.87 MDM2 (0.42) MDM2ALDH1A1MAPTTP53LMNA
SCHEMBL8541906 0.86 MDM2 (0.44) MDM2ALDH1A1TP53ELANELMNA
SCHEMBL8543993 0.84 MDM2 (0.45) MDM2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8541130 0.84 MDM2 (0.43) MDM2ALDH1A1TP53ELANELMNA
SCHEMBL8546214 0.84 MDM2 (0.49) MDM2ALDH1A1MAPTTP53KMT2A
SCHEMBL8540675 0.82 MDM2 (0.46) MDM2ALDH1A1MAPTTP53ELANE

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