SCHEMBL8545397

SCHEMBL8545397

CCOC(=O)c1c(N(C)CC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.44
MAP2K4 P45985 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H2 P55055 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
POLB P06746 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
SCHEMBL8544976 0.89 MDM2 (0.45) MDM2MEN1KMT2AELANEL3MBTL1
SCHEMBL8540090 0.85 MDM2 (0.47) MDM2MEN1KMT2AELANEL3MBTL1
SCHEMBL8545025 0.84 ELANE (0.45) MDM2MEN1KMT2AELANEKDM4E
SCHEMBL8545584 0.82 MDM2 (0.45) MDM2MAP2K4MEN1KMT2AELANE
SCHEMBL8545400 0.81 MDM2 (0.41) MDM2MAP2K4MEN1KMT2AELANE
SCHEMBL8540739 0.80 MDM2 (0.41) MDM2MEN1KMT2ANPSR1
SCHEMBL8545338 0.79 MDM2 (0.49) MDM2
SCHEMBL8538965 0.79 MDM2 (0.46) MDM2MEN1KMT2AELANEL3MBTL1
SCHEMBL8546241 0.76 ALOX15 (0.43) MEN1KMT2AKDM4EHPGDPOLB
SCHEMBL8540705 0.73 MDM2 (0.45) MDM2MEN1KMT2AELANEL3MBTL1

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