SCHEMBL21464544

SCHEMBL21464544

COC(=O)c1ccc(N2CCN(C(C)(C)C)CC2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SIRT6 Q8N6T7 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HTR6 P50406 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
AR P10275 3/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL25691077 0.85 SLC16A3 (0.46) KMT2AKDM4ESIRT6ALDH1A1MAPT
SCHEMBL21464361 0.84 KDM4E (0.45) KMT2AKDM4ESIRT6ALDH1A1MAPT
SCHEMBL29966594 0.84 KDM4E (0.45) KMT2AKDM4ESIRT6ALDH1A1MAPT
SCHEMBL30612711 0.84 MAPT (0.49) KMT2ACTSSCTSKALDH1A1MAPT
SCHEMBL20235026 0.84 MAPT (0.49) KMT2ACTSSCTSKALDH1A1MAPT
SCHEMBL30906240 0.80 MAPK3 (0.49) KMT2ACTSSCTSKALDH1A1MAPT
SCHEMBL20213879 0.79 SIRT6 (0.44) KMT2AKDM4ESIRT6CTSLCTSB
SCHEMBL21876910 0.79 CHRM4 (0.47) KMT2AKDM4ESIRT6ALDH1A1MAPT
SCHEMBL13152897 0.79 LMNA (0.44) KDM4ECTSLCTSBCTSSCTSK
SCHEMBL24696583 0.79 KDM4E (0.44) KMT2AKDM4ESIRT6ALDH1A1MAPT

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
EP-3774772-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed