SCHEMBL10523764

SCHEMBL10523764

Nc1cccc(C2=NCCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MECP2 P51608 1/20 0.44
MAOA P21397 1/20 0.41
MAP4K4 O95819 5/20 0.40
MEN1 O00255 2/20 0.39
PSIP1 O75475 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7745017 0.90 MECP2 (0.46) MECP2MAOAMAP4K4MEN1PSIP1
SCHEMBL1646929 0.88 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL10520530 0.84 KCNH2 (0.38) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL1338582 0.80 CHRNB4 (0.53) ALDH1A1MAPTHPGDKMT2APOLB
SCHEMBL23054974 0.79 KCNH2 (0.37)
SCHEMBL14320600 0.79 NOS3 (0.47) NOS3NOS1NOS2MEN1KDM4E
SCHEMBL9319771 0.78 CHRNB4 (0.44) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL105809 0.76 NPC1 (0.41) SMN1; SMN2
SCHEMBL1645947 0.76 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1HPGD
SCHEMBL12567710 0.73 NISCH (0.45) MEN1KDM4EALDH1A1LMNAMAPT

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
US-4824843-A Substituted amide inhibitors of cholesterol absorption WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed