SCHEMBL12501840

SCHEMBL12501840

CC(C)(C)OC(=O)NCCCN1CCN(CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ DRD2 P14416 10/20 0.54
▸ DRD3 P35462 1/20 0.53
▸ HTR1A P08908 4/20 0.52
▸ HTR2A P28223 4/20 0.52
▸ HTR6 P50406 4/20 0.52
▸ HTR7 P34969 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ BRD4 O60885 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL12502118 0.88 PABPC1 (0.58) MEN1KMT2ADRD2DRD3HTR1A
SCHEMBL24796373 0.86 HEXA (0.58) MEN1KMT2AKDM4EBRD4
SCHEMBL12413498 0.84 MEN1 (0.64) MEN1KMT2ADRD2DRD3HTR1A
SCHEMBL25868575 0.83 SIRT1 (0.60) MEN1KMT2AKDM4EBRD4
SCHEMBL25974776 0.82 MALT1 (0.52) MEN1KMT2ADRD2BRD4SIGMAR1
SCHEMBL20258466 0.79 SIRT1 (0.59) MEN1KMT2AKDM4EPOLBRXFP1
SCHEMBL8139824 0.79 BRD4 (0.53) DRD2BRD4
SCHEMBL30675910 0.78 BRD4 (0.51) DRD2BRD4
SCHEMBL22291518 0.78 TPSAB1 (0.54) DRD2BRD4
SCHEMBL31655700 0.78 TPSAB1 (0.54) DRD2BRD4

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
WO-2012104788-A2 ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-09 — — WO disclosed
WO-2012104788-A2 ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-09 — — WO disclosed
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