SCHEMBL9708920

SCHEMBL9708920

CCCCN(CC)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
MAPT P10636 4/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH3A1 P30838 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR3 P49019 3/20 0.38
VCAM1 P19320 1/20 0.35
AR P10275 1/20 0.34
HTT P42858 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL9709186 0.90 ALDH3A1 (0.47) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL9708914 0.87 MAPK1 (0.51) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL27690591 0.78 MAPT (0.48) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL27385554 0.78 CYP3A4 (0.62) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL9708979 0.76 MAPK1 (0.40) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL3054200 0.74 CYP3A4 (0.61) MAPK1MAPTCYP3A4TSHRTDP1
SCHEMBL5905614 0.74 MAPT (0.53) MAPK1MAPTCYP3A4TDP1ALDH3A1
Benfluralin SCHEMBL16934804 0.71 MAPT (1.00) MAPK1MAPTCYP3A4TSHRTDP1
Benfluralin SCHEMBL8539486 0.71 MAPT (1.00) MAPK1MAPTCYP3A4TSHRTDP1
Benfluralin SCHEMBL55008 0.71 MAPT (1.00) MAPK1MAPTCYP3A4TSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498694-A1 Product for limiting the number of branches of vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-12 EP claimed
EP-0497685-A1 Anti-bud product for vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-05 EP claimed
EP-0498694-A1 Product for limiting the number of branches of vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-12 EP disclosed
EP-0497685-A1 Anti-bud product for vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-05 EP disclosed