SCHEMBL30909043

SCHEMBL30909043

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccccc4C#N)cc3c2C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.65
RORC P51449 1/20 0.43
LRRK2 Q5S007 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL8116686 1.00 HTR1F (0.65) HTR1FRORCLRRK2KMT2AMEN1
SCHEMBL7656996 0.88 HTR1F (0.68) HTR1FKMT2AMEN1MAPTHPGD
SCHEMBL7663021 0.87 HTR1F (0.67) HTR1FKMT2AMEN1MAPTHPGD
SCHEMBL7658859 0.87 HTR1F (0.73) HTR1FKMT2AMEN1MAPTHPGD
SCHEMBL8116194 0.86 HTR1F (0.49) HTR1FRORCLRRK2KMT2AMEN1
SCHEMBL30909185 0.86 HTR1F (0.49) HTR1FRORCLRRK2KMT2AMEN1
SCHEMBL7654358 0.86 HTR1F (0.66) HTR1FKMT2AMEN1MAPTHPGD
SCHEMBL7656434 0.85 HTR1F (0.68) HTR1FKMT2AMEN1MAPTKDM4E
SCHEMBL7656398 0.84 HTR1F (0.81) HTR1FKMT2AMEN1MAPTHPGD
SCHEMBL7660418 0.84 HTR1F (0.78) HTR1FRORCLRRK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed