SCHEMBL1573855

SCHEMBL1573855

CC1CCCN(C(=O)Oc2n[nH]c3cc(S(F)(F)(F)(F)F)ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 4/20 0.40
LIPE Q05469 1/20 0.40
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL1573950 0.82 ALDH1A1 (0.61) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1573835 0.74 GAA (0.45) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1573947 0.73 GAA (0.46) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1573535 0.72 GAA (0.45) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1573823 0.72 GAA (0.45) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1574523 0.72 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1574490 0.71 LIPE (0.50) ALDH1A1GAAKDM4EHSD17B10NPC1
SCHEMBL1573869 0.71 HPGD (0.49) ALDH1A1GAANPC1RAB9ATP53
SCHEMBL1573862 0.71 ALDH1A1 (0.44) ALDH1A1GAARAB9ATSHRHPGD
SCHEMBL1574568 0.70 RBP4 (0.40) ALDH1A1MAPK1MEN1KMT2A

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-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed