SCHEMBL11033652

SCHEMBL11033652

O=[N+]([O-])c1cc(Cl)c(Oc2cccc3c2CCCC3)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL11030951 0.86 KMT2A (0.54) LMNAMAPTSMN1; SMN2NCOA3MEN1
SCHEMBL10960737 0.80 SCN9A (0.39) MEN1KMT2AIDO1
SCHEMBL11110730 0.79 MEN1 (0.46) LMNAMAPTSMN1; SMN2NCOA3MEN1
SCHEMBL10963407 0.79 HSPB1 (0.47) LMNAMAPTSMN1; SMN2NCOA3MEN1
SCHEMBL11030710 0.77 CYP2C9 (0.41) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11289441 0.76 MEN1 (0.40) LMNAMAPTSMN1; SMN2NCOA3MEN1
SCHEMBL29206084 0.75 CYP2C9 (0.37) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6178485 0.73 HSPB1 (0.52) LMNAMAPTSMN1; SMN2NCOA3MEN1
SCHEMBL10771209 0.73 KMT2A (0.52) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11026917 0.73 ALOX5 (0.54) LMNAMAPTSMN1; SMN2MEN1KMT2A

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
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed