SCHEMBL28065256

SCHEMBL28065256

FC1=Nc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
TRPA1 O75762 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
CCR3 P51677 1/20 0.37
ACHE P22303 5/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13523420 0.81 NOS3 (0.57) NOS3NOS1NOS2SIGMAR1NPC1
SCHEMBL5021700 0.77 NOS3 (0.46) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL3616940 0.73 NOS3 (0.48) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL47849 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL9924581 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL4183978 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL35438 0.73 NOS3 (0.48) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL5100916 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1
Oxindole SCHEMBL9305641 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1
SCHEMBL11780213 0.73 NOS3 (0.43) NOS3NOS1NOS2TRPA1SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482714-B Oligonucleotide probe group and relative method and purposes 霍夫曼-拉罗奇有限公司 2018-04-06 CN disclosed
CN-107446986-A Culture medium of microorganism and preparation method thereof in a kind of detection blood of human body 青岛金典生化器材有限公司 2017-12-08 CN disclosed
CN-102177249-B For the reaction culture medium of staphylococcus aureus BIOMERIEUX (FR) 2016-05-11 CN disclosed