SCHEMBL6649783

SCHEMBL6649783

Cc1cc(N)ccc1[N+]1([O-])CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PDE10A Q9Y233 1/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 2/20 0.34
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
RAF1 P04049 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL7252455 0.80 MAPT (0.46) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL900908 0.71 MAPT (0.33) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL77293 0.63 ALDH1A1 (0.33) ALDH1A1MAPTLMNA
SCHEMBL14320620 0.62 OPRL1 (0.43) ALDH1A1PDE10AMAPTGAAKDM4E
SCHEMBL77631 0.62 ALDH1A1 (0.32) ALDH1A1MAPTLMNA
SCHEMBL519230 0.62 MAPT (0.69) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL4757417 0.61 LMNA (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9051047 0.60 CYP1A2 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL18872639 0.60 ALDH1A1 (0.37) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL29977912 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed