SCHEMBL30909034

SCHEMBL30909034

O=C(Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1)Oc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
BTK Q06187 2/20 0.38
ROCK2 O75116 1/20 0.37
POLB P06746 2/20 0.36
NPY2R P49146 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL8382137 1.00 MAPT (0.41) MAPTLMNANOS3NOS1BTK
SCHEMBL30909253 0.91 MAPT (0.41) MAPTLMNANOS3NOS1POLB
SCHEMBL8381665 0.91 MAPT (0.41) MAPTLMNANOS3NOS1POLB
SCHEMBL8386453 0.86 MAPT (0.40) MAPTLMNANOS3NOS1BTK
SCHEMBL30908852 0.86 MAPT (0.40) MAPTLMNANOS3NOS1BTK
SCHEMBL8381739 0.86 NOS3 (0.40) MAPTNOS3NOS1
SCHEMBL5906286 0.85 ITK (0.41) ROCK2NPY2R
SCHEMBL8387372 0.84 NOS3 (0.44) MAPTLMNANOS3NOS1
SCHEMBL8383483 0.82 MAPT (0.47) MAPTNOS3NOS1POLB
SCHEMBL8385402 0.81 MAPT (0.41) MAPTLMNANOS3NOS1POLB

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