SCHEMBL10495487

SCHEMBL10495487

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cn2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.44
EPAS1 Q99814 2/20 0.42
PABPC1 P11940 1/20 0.41
VEGFA P15692 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
PTGES O14684 1/20 0.38
PDE7A Q13946 1/20 0.38

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
SCHEMBL10495583 0.86 MAPT (0.65) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL10508154 0.85 CYP1A2 (0.48) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL1149069 0.83 PDE7A (0.53) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL10354302 0.81 CYP1A2 (0.47) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL11092359 0.81 PDE7A (0.53) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL12594166 0.81 HSPB1 (0.57) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL28508933 0.80 CYP1A2 (0.51) HSPB1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL9171793 0.80 CYP1A2 (0.64) HSPB1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10495539 0.78 L3MBTL1 (0.50) MAPTL3MBTL1RAB9APOLBALDH1A1
SCHEMBL16479498 0.78 MAPT (0.64) HSPB1MAPTNPSR1CYP1A2CYP2C9

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-4863924-A N-benzoyl urea compounds, antitumorous compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1989-09-05 US disclosed
EP-0226104-A2 N-Benzoyl urea compounds, antitumorous compositions containing them, and process for their preparation ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-06-24 EP disclosed