SCHEMBL30739622

SCHEMBL30739622

CN(C(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.39
VCAM1 P19320 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.37
RECQL P46063 1/20 0.37
HSPB1 P04792 2/20 0.37
SLC6A9 P48067 2/20 0.37
SLC6A5 Q9Y345 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 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
SCHEMBL20045604 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL18146138 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL30739980 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL18147806 0.83 RORC (0.47) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL18147362 0.83 VCAM1 (0.48) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL19440683 0.82 MEN1 (0.51) ALDH1A1L3MBTL1MEN1HTTKMT2A
SCHEMBL20045594 0.81 PIK3C3 (0.39) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL30739618 0.81 PIK3C3 (0.39) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL18147909 0.79 MEN1 (0.48) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL18147329 0.75 MEN1 (0.48) ALDH1A1L3MBTL1MEN1HTTKMT2A

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