SCHEMBL30909253

SCHEMBL30909253

O=C(Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
POLB P06746 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL8381665 1.00 MAPT (0.41) MAPTPOLBNOS3NOS1LMNA
SCHEMBL30909034 0.91 MAPT (0.41) MAPTPOLBNOS3NOS1LMNA
SCHEMBL8382137 0.91 MAPT (0.41) MAPTPOLBNOS3NOS1LMNA
SCHEMBL30908852 0.86 MAPT (0.40) MAPTNOS3NOS1LMNAHTR1D
SCHEMBL8386453 0.86 MAPT (0.40) MAPTNOS3NOS1LMNAHTR1D
SCHEMBL8381739 0.86 NOS3 (0.40) MAPTNOS3NOS1HTR1DHTR1B
SCHEMBL8383483 0.82 MAPT (0.47) MAPTPOLBNOS3NOS1
SCHEMBL8385402 0.81 MAPT (0.41) MAPTPOLBNOS3NOS1LMNA
SCHEMBL8382132 0.81 HTR1D (0.40) MAPTPOLBNOS3NOS1HTR1D
SCHEMBL8386551 0.80 NOS3 (0.54) MAPTNOS3NOS1LMNAHTR1D

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