SCHEMBL30909307

SCHEMBL30909307

N#Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
RORC P51449 1/20 0.40
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
XDH P47989 3/20 0.38
SLC6A4 P31645 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TLK2 Q86UE8 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
SCHEMBL8383718 1.00 NOS3 (0.43) NOS3NOS1RORCCDK2GSK3B
SCHEMBL8387372 0.85 NOS3 (0.44) NOS3NOS1MAPTLMNA
SCHEMBL8386628 0.84 NOS3 (0.40) NOS3NOS1RORCMAPTLMNA
SCHEMBL8386551 0.83 NOS3 (0.54) NOS3NOS1RORCMAPTLMNA
Hydrochloric Acid SCHEMBL8386484 0.82 NOS3 (0.56) NOS3NOS1RORCMAPTLMNA
SCHEMBL8383851 0.81 MAPT (0.45) NOS3NOS1MAPTLMNAPOLB
SCHEMBL8385392 0.81 MAPT (0.45) NOS3NOS1MAPTLMNA
SCHEMBL8382132 0.81 HTR1D (0.40) NOS3NOS1SLC6A4MAPTPOLB
SCHEMBL8386497 0.81 NOS3 (0.40) NOS3NOS1MAPTLMNAPOLB
SCHEMBL8382850 0.80 NOS3 (0.41) NOS3NOS1RORC

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