SCHEMBL7245280

SCHEMBL7245280

CC=Cc1ncccc1C

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
CTH P32929 1/20 0.41
METAP2 P50579 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
PLAU P00749 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2A6 P11509 1/20 0.37
FGF23 Q9GZV9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
APLNR P35414 1/20 0.33
CCR1 P32246 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
SCHEMBL20091037 1.00 NOS3 (0.45) NOS3NOS1NOS2CTHMETAP2
SCHEMBL7245275 1.00 NOS3 (0.45) NOS3NOS1NOS2CTHMETAP2
SCHEMBL13176712 0.86 NOS3 (0.41) NOS3NOS1NOS2CTHMETAP2
SCHEMBL9000307 0.83 NOS3 (0.45) NOS3NOS1NOS2CTHMETAP2
SCHEMBL661299 0.82
SCHEMBL15747042 0.81 CTH (0.44) NOS3NOS1NOS2CTHMETAP2
SCHEMBL5754946 0.81 NOS3 (0.43) NOS3NOS1NOS2CTHMETAP2
SCHEMBL24434450 0.79 NOS3 (0.42) NOS3NOS1NOS2CTHMETAP2
SCHEMBL22239425 0.79 NOS3 (0.42) NOS3NOS1NOS2CTHMETAP2
SCHEMBL22002051 0.78 FGF23 (0.42) NOS3NOS1NOS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108636433-B Nitrogen-doped porous carbon immobilized noble metal catalyst and preparation method and application thereof 山西大学 2021-02-02 CN claimed
CN-108636433-B Nitrogen-doped porous carbon immobilized noble metal catalyst and preparation method and application thereof 山西大学 2021-02-02 CN disclosed
US-6596872-B2 Reacting an alpha -picoline or gamma -picoline with formaldehyde in vapor phase in presence of metal cation modified zeolite MFI or zeolite zeolite MEL to produce 2-vinylpyridine or 4-vinylpyridine compound REILLY INDUSTRIES, INC. 2003-07-22 US disclosed
US-20020123633-A1 Process for preparing alkenyl-substituted heterocycles VERTELLUS HOLDINGS LLC 2002-09-05 US disclosed
WO-2002034720-A1 PROCESS FOR PREPARING VINYL-SUBSTITUTED HETEROCYCLES REILLY INDUSTRIES, INC. (US) 2002-05-02 WO disclosed