SCHEMBL7034309

SCHEMBL7034309

O=[N+]([O-])c1cccc(N2CCCC[C@H]2CO)c1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.46
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MEN1 O00255 1/20 0.39
MAPT P10636 5/20 0.38
GPR174 Q9BXC1 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
PKM P14618 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
SCHEMBL7027776 1.00 CUL4A (0.46) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL29512894 0.87 CUL4A (0.49) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL3435628 0.83 ALDH1A1 (0.47) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL4060044 0.83 ALDH1A1 (0.47) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL30789653 0.81 CUL4A (0.42) CUL4AALDH1A1KMT2AMCOLN3MAPT
SCHEMBL5518635 0.78 ALDH1A1 (0.48) CUL4AALDH1A1KMT2AMEN1MAPT
SCHEMBL29512788 0.78 CUL4A (0.51) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL29512840 0.78 KMT2A (0.46) CUL4AALDH1A1KMT2AMCOLN3MEN1
SCHEMBL30789585 0.77 ALDH1A1 (0.40) CUL4AALDH1A1MAPTLMNAGAA
SCHEMBL2940730 0.75 ACVR1 (0.41) KMT2AMEN1

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
EP-0874852-B1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS UPJOHN CO (US) 2004-03-31 EP disclosed
EP-0874852-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1998-11-04 EP disclosed
WO-1997019089-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1997-05-29 WO disclosed