SCHEMBL9708979

SCHEMBL9708979

CCCN(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C(F)(F)F)C(C)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH3A1 P30838 1/20 0.36
HCAR3 P49019 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 5/20 0.33
VCAM1 P19320 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
CES2 O00748 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9708914 0.82 MAPK1 (0.51) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL9709186 0.77 ALDH3A1 (0.47) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL9709115 0.76 MAPT (0.33) MAPK1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL9708920 0.76 MAPK1 (0.55) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL10507267 0.73 CYP3A4 (0.67) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL9708896 0.68 ALDH3A1 (0.50) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL28179841 0.67 TSHR (0.50) CYP3A4TSHRTDP1MAPTALDH1A1
SCHEMBL9709061 0.67 CYP3A4 (0.51) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL8407531 0.67 MLYCD (0.42) MAPK1CYP3A4TSHRTDP1ALDH3A1
SCHEMBL11809589 0.66 CYP3A4 (0.46) MAPK1CYP3A4TSHRTDP1ALDH3A1

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