SCHEMBL30739980

SCHEMBL30739980

CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.41
HSPB1 P04792 2/20 0.39
PIK3C3 Q8NEB9 3/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
CYP19A1 P11511 1/20 0.37
PIK3CA P42336 1/20 0.37
NPY2R P49146 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL18146138 0.89 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL18147806 0.86 RORC (0.47) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL20045604 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL30739622 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL21904899 0.77 HSPB1 (0.44) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL24281952 0.76 PIK3C3 (0.43) MAPTHTTLMNASMN1; SMN2PIK3C3
SCHEMBL19440683 0.75 MEN1 (0.51) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL18147848 0.75 RORC (0.47) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL21408365 0.74 PIK3C3 (0.41) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL18147738 0.74 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTHTTMEN1

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed