SCHEMBL30908804

SCHEMBL30908804

CCCON(C(=S)Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MAPT P10636 5/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8385410 1.00 NOS3 (0.41) NOS3NOS1HTR1DHTR1BMAPT
Hydrochloric Acid SCHEMBL8386555 0.88 NOS3 (0.41) NOS3NOS1HTR1DHTR1BMAPT
Hydrochloric Acid SCHEMBL30909117 0.88 NOS3 (0.41) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8381682 0.86 NOS3 (0.44) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8708059 0.84 NOS1 (0.38) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8385406 0.81 NOS3 (0.42) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8708647 0.81 NOS3 (0.51) NOS3NOS1HTR1DHTR1BMAPT
Hydrochloric Acid SCHEMBL8709283 0.80 NOS3 (0.52) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL30908958 0.80 HTR6 (0.34) NOS3NOS1MAPTLMNA
SCHEMBL8385366 0.80 NOS3 (0.41) NOS3NOS1HTR1DHTR1BMAPT

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