SCHEMBL9056450

SCHEMBL9056450

Cc1cc(N(C)CCCO)cc(CO)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL9056033 0.90 POLB (0.34) MEN1GAAMAPK1KMT2A
SCHEMBL4380411 0.88 MEN1 (0.35) MEN1GAAMAPK1KMT2ANOS3
SCHEMBL10884170 0.79 CRHR1 (0.35) MEN1GAAMAPK1KMT2A
SCHEMBL7455090 0.77 POLB (0.39) MEN1GAAMAPK1KMT2A
SCHEMBL11121102 0.73 HPGD (0.36) NOS3NOS1NOS2
SCHEMBL11953076 0.72 MEN1 (0.42) MEN1KMT2A
SCHEMBL9057629 0.71 KDM4E (0.39) MAPK1
SCHEMBL28175098 0.67 MEN1 (0.34) MEN1GAAMAPK1KMT2A
SCHEMBL667378 0.67 NOS2 (0.44) MEN1GAAMAPK1KMT2ANOS3
SCHEMBL6449723 0.66 ALDH1A1 (0.44)

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-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed