SCHEMBL10353586

SCHEMBL10353586

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE7A Q13946 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL10353637 0.86 ALDH1A1 (0.39) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL2568058 0.82 MAPT (0.54) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL10353207 0.79 MAPT (0.53) MAPTLMNAALDH1A1KMT2ACYP1A2
SCHEMBL10353102 0.78 CYP1A2 (0.46) MAPTLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL9447508 0.76 PDE7A (0.50) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL34473905 0.74 MAPT (0.62) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL10873277 0.72 HSD17B10 (0.45) HPGDALDH1A1KMT2APDE7AHSD17B10
SCHEMBL7686888 0.71 HSD17B10 (0.55) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL6816187 0.71 MAPT (0.79) MAPTLMNASMN1; SMN2HPGDRAB9A
SCHEMBL30140444 0.71 KMT2A (0.65) MAPTLMNASMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194688-B1 BENZOYL-UREAS HAVING INSECTICIDE ACTIVITY ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1990-07-18 EP disclosed