SCHEMBL7772062

SCHEMBL7772062

Cc1cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ELANE P08246 4/20 0.37
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL7772077 0.85 MAPT (0.37) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL7380155 0.84 ALDH1A1 (0.34) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL7771930 0.81 SMN1; SMN2 (0.43) RAB9ALMNAKMT2AALDH1A1NPC1
SCHEMBL8118422 0.74 ALDH1A1 (0.33) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL7773563 0.71 SMN1; SMN2 (0.44) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL7214195 0.71 ALDH1A1 (0.42) RAB9AKMT2AALDH1A1MEN1
SCHEMBL13120789 0.70 HSPD1 (0.48) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL8111245 0.69 NPSR1 (0.41) RAB9ALMNAKMT2AALDH1A1NPC1
SCHEMBL7771927 0.69 KDM4E (0.44) RAB9ALMNAKMT2AALDH1A1NPC1
SCHEMBL7653556 0.68 RAB9A (0.49) RAB9ALMNAKMT2ANPC1MEN1

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