SCHEMBL7772077

SCHEMBL7772077

COC(=O)Cn1c(C)cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 7/20 0.33
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7380155 0.90 ALDH1A1 (0.34) MAPTHTTALDH1A1ESR2LMNA
SCHEMBL7772062 0.85 RAB9A (0.39) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7772056 0.80 PDE4B (0.41) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL8118422 0.80 ALDH1A1 (0.33) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL7773563 0.78 SMN1; SMN2 (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7773566 0.77 MAPT (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772045 0.74 F2 (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7771637 0.72 SMN1; SMN2 (0.41) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7214195 0.72 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL7771927 0.72 KDM4E (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed