SCHEMBL6237528

SCHEMBL6237528

O=[N+]([O-])c1ccc(Oc2cccc3ccccc23)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
PDE7A Q13946 1/20 0.53
ESRRA P11474 1/20 0.53
ALOX5 P09917 2/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
STK39 Q9UEW8 1/20 0.51
PTGES O14684 1/20 0.50

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
SCHEMBL10962765 0.86 MAPT (0.56) KMT2AMEN1PDE7AESRRAMAPT
SCHEMBL22069578 0.85 HPGD (0.63) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL30098850 0.85 HPGD (0.63) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL11026917 0.84 ALOX5 (0.54) KMT2AMEN1ESRRAALOX5MAPT
SCHEMBL27713193 0.84 HSPB1 (0.66) KMT2AMEN1ALOX5MAPTLMNA
SCHEMBL11511746 0.83 PDE7A (0.71) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL10965789 0.83 MAPT (0.61) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL11030748 0.83 ALOX5 (0.52) KMT2AMEN1ALOX5MAPTLMNA
SCHEMBL22069554 0.81 KMT2A (0.62) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL3484735 0.81 KMT2A (0.69) KMT2AMEN1PDE7AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
EP-0081743-B1 NAPHTHOXYPHENYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-05-14 EP disclosed
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0081743-A2 Naphthoxyphenyl ureas, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-06-22 EP disclosed
EP-0013414-B1 UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES CELAMERCK GmbH & Co. KG (DE) 1982-06-23 EP disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed
US-4275077-A Insecticidal acyl urea derivatives CELAMERCK GMBH & CO. KG (DE) 1981-06-23 US disclosed
EP-0013414-A2 Urea derivatives, process for their preparation and their use as insecticides CELAMERCK GmbH & Co. KG (DE) 1980-07-23 EP disclosed