SCHEMBL30909205

SCHEMBL30909205

CCCNCC1CCc2[nH]c3ccc(NC(=O)c4cccc(CC)c4)cc3c2C1.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
VPS4B O75351 1/20 0.38
VCP P55072 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
BRD4 O60885 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL8110880 1.00 HTR1F (0.41) HTR1FMAPTTHRBALDH1A1LMNA
SCHEMBL30908864 0.90 HTR1A (0.42) HTR1FMAPTTHRBALDH1A1LMNA
SCHEMBL8100859 0.90 HTR1A (0.42) HTR1FMAPTTHRBALDH1A1LMNA
SCHEMBL8110886 0.82 MAPT (0.34) MAPTMAP1LC3BMAP1LC3ABRD4PDGFRB
SCHEMBL8110843 0.77 MEN1 (0.63) HTR1FMAPTALDH1A1LMNAVPS4B
SCHEMBL8100872 0.75 HTR1A (0.35) MAPTBRD4PDGFRBKDRPARP1
SCHEMBL8101435 0.74 HTR1F (0.47) HTR1FMAPTTHRBALDH1A1LMNA
SCHEMBL8110281 0.74 KIF11 (0.45) HTR1FMAPTALDH1A1LMNAVPS4B
Sulfuric Acid SCHEMBL8101053 0.73 VPS4B (0.49) HTR1FMAPTTHRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL8110488 0.71 VPS4B (0.46) HTR1FMAPTTHRBALDH1A1VPS4B

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