SCHEMBL9683754

SCHEMBL9683754

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD11B1 P28845 2/20 0.39
VCAM1 P19320 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9683026 0.92 HSD17B10 (0.43) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL9683830 0.89 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL9683738 0.84 HSD17B10 (0.43) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL28695929 0.84 HSD17B10 (0.58) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL9194501 0.84 ALDH1A1 (0.45) LMNAALDH1A1HSD11B1MEN1KMT2A
SCHEMBL9683053 0.83 HSD17B10 (0.42) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL26343383 0.81 FFAR4 (0.52) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1
SCHEMBL8914522 0.76 CYP3A4 (0.37)
SCHEMBL10748239 0.75 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2ALDH1A1PDK1
SCHEMBL863170 0.75 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2FFAR4ALDH1A1

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
US-5162583-A Triazole Herbicide Intermediates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-11-10 US claimed
US-5162583-A Triazole Herbicide Intermediates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-11-10 US disclosed