SCHEMBL8835372

SCHEMBL8835372

CCOC(=O)c1c(NCC(=O)OC(C)CC(=O)c2ccccc2)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
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ELANE P08246 1/20 0.32
NR1H2 P55055 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
AGTR1 P30556 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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 0.89 MDM2 (0.48) MDM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL8541912 0.86 MDM2 (0.45) MDM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL8541135 0.85 MDM2 (0.43) MDM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8538967 0.84 MDM2 (0.44) MDM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8540675 0.84 MDM2 (0.46) MDM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL8541127 0.83 MDM2 (0.44) MDM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL8546220 0.83 MDM2 (0.43) MDM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL8541910 0.82 MDM2 (0.43) MDM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8545284 0.81 MDM2 (0.43) MDM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8836007 0.81 MDM2 (0.43) MDM2MEN1KMT2AKDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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