SCHEMBL22452889

SCHEMBL22452889

COC(=O)c1ccccc1Nc1ccc(N)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.76
ALOX15 P16050 2/20 0.76
SIRT2 Q8IXJ6 2/20 0.64
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 3/20 0.54
CFTR P13569 1/20 0.54
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
APP P05067 1/20 0.51
SNCA P37840 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AURKA O14965 1/20 0.51
GLA P06280 1/20 0.50

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
SCHEMBL13224505 0.92 MAPT (0.89) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL6485882 0.89 MAPT (0.61) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL12109319 0.87 MAPT (0.81) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL31914 0.86 MAPT (1.00) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL28658698 0.85 MAPT (0.78) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL13832955 0.84 MAPT (0.76) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL28649151 0.84 MAPT (0.81) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL22853361 0.84 MAPT (0.76) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL12605599 0.84 MAPT (0.76) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL17617073 0.84 MAPT (0.76) MAPTALOX15SIRT2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098953-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOXIDANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-06-08 WO disclosed
WO-2023001341-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-01-26 WO disclosed
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed