SCHEMBL5814643

SCHEMBL5814643

O=[C]CC1Sc2ccc(C(F)(F)F)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
HTT P42858 1/20 0.46
NOX1 Q9Y5S8 2/20 0.43
CYBB P04839 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL6993134 0.84 LMNA (0.60) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL7004061 0.82 LMNA (0.58) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL6997145 0.76 SMN1; SMN2 (0.57) LMNAMAPTSMN1; SMN2TP53NOX1
SCHEMBL5814733 0.76 HSD17B10 (0.61) MAPTSMN1; SMN2HTTHSD17B10ALDH1A1
SCHEMBL8523594 0.74 LMNA (0.50) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL6999115 0.70 LMNA (0.47) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL7000029 0.68 LMNA (0.45) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL7000067 0.66 NOX1 (0.49) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL6927126 0.66 LMNA (0.42) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL6755136 0.66 SMN1; SMN2 (0.48) LMNAMAPTSMN1; SMN2TP53HTT

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed