SCHEMBL4747135

SCHEMBL4747135

O=[N+]([O-])c1cccc(OCOCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
AR P10275 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAOB P27338 3/20 0.51
FAAH O00519 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
MAOA P21397 2/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7004387 0.93 CHRNB2 (0.51) MAPTMEN1KMT2ALMNAAR
SCHEMBL30443578 0.88 MAOB (0.63) MAPTMEN1KMT2ALMNAAR
SCHEMBL2965418 0.88 MAOB (0.63) MAPTMEN1KMT2ALMNAAR
SCHEMBL25920598 0.87 MAPT (0.62) MAPTMEN1KMT2ALMNAAR
SCHEMBL25920602 0.85 MAOB (0.64) MAPTMEN1KMT2ALMNAAR
SCHEMBL16178929 0.83 CHRNB2 (0.64) MAPTLMNACHRNB2CHRNA4MAOB
Hydroquinone SCHEMBL29014236 0.83 MAOB (0.61) MAPTMEN1KMT2ALMNAAR
SCHEMBL6599866 0.82 MAOB (0.68) MAPTMEN1KMT2ALMNAAR
SCHEMBL7356754 0.82 AR (0.60) MAPTMEN1KMT2ALMNAAR
SCHEMBL7861196 0.82 TSHR (0.59) MAPTMEN1KMT2ALMNAAR

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
WO-2008118935-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-E]INDOL-8-ONES NEUROGEN CORPORATION (US) 2008-10-02 WO disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed