SCHEMBL24465862

SCHEMBL24465862

CNCc1ccc2cc(OCc3cccc(O)c3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.57
NOS3 P29474 2/20 0.57
F2 P00734 3/20 0.47
ALOX5 P09917 1/20 0.46
ACHE P22303 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
APP P05067 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NOS2 P35228 1/20 0.44
MAOB P27338 1/20 0.43
BCHE P06276 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1488015 0.80 CYP3A4 (0.64) NOS1CYP1A2CYP3A4PKMALOX15
SCHEMBL5633860 0.77 ALOX5 (0.59) F2ALOX5MRGPRX4APPCYP1A2
SCHEMBL7634874 0.77 ALOX5 (0.53) F2ALOX5MRGPRX4APPCYP1A2
SCHEMBL4670284 0.77 ALOX5 (0.46) NOS1NOS3ALOX5CYP1A2CYP3A4
Bromide SCHEMBL27590510 0.75 ALOX5 (0.45) NOS1NOS3ALOX5CYP1A2CYP3A4
SCHEMBL8276174 0.74 RXRA (0.53) F2ACHEMRGPRX4APPCYP1A2
SCHEMBL13814621 0.74 BCHE (0.73) NOS1NOS3PKMMAPK1MAOB
SCHEMBL4675400 0.73 NOS1 (0.42) NOS1NOS3NOS2
SCHEMBL21071006 0.73 APP (0.61) F2ALOX5MRGPRX4APPCYP1A2
Hydrochloric Acid SCHEMBL29873726 0.73 BCHE (0.71) NOS1NOS3PKMMAPK1MAOB

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
EP-4006045-A1 NUCLEIC ACID COMPOUND MANUFACTURING METHOD AND NUCLEIC ACID COMPOUND FUJIFILM Corporation (JP) 2022-06-01 EP disclosed