SCHEMBL9683830

SCHEMBL9683830

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
VCAM1 P19320 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
RORC P51449 1/20 0.40
TNF P01375 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9683754 0.89 HSD17B10 (0.45) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9683026 0.87 HSD17B10 (0.43) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9683738 0.87 HSD17B10 (0.43) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28695929 0.86 HSD17B10 (0.58) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9683053 0.85 HSD17B10 (0.42) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9445058 0.83 APP (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10748239 0.80 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL863170 0.77 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL26343383 0.77 FFAR4 (0.52) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17758010 0.77 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E

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