SCHEMBL11030951

SCHEMBL11030951

O=[N+]([O-])c1ccc(Oc2cccc3c2CCCC3)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 5/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
PDE7A Q13946 1/20 0.49
ALDH1A1 P00352 6/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL11033652 0.86 LMNA (0.47) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11030826 0.84 PDE7A (0.53) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11110730 0.81 MEN1 (0.46) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL10963407 0.80 HSPB1 (0.47) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11511746 0.79 PDE7A (0.71) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL3484318 0.79 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL3484671 0.79 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL3484194 0.78 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL22069578 0.78 HPGD (0.63) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL30098850 0.78 HPGD (0.63) KMT2AMEN1MAPTSMN1; SMN2LMNA

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