SCHEMBL9780336

SCHEMBL9780336

N#CCCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPAS1 Q99814 1/20 0.50
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.47
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.43

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
SCHEMBL4138445 0.84 MAPT (0.51) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL11252528 0.81 GAA (0.70) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6020757 0.79 LMNA (0.64) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6838994 0.79 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL13813682 0.77 MAPT (0.51) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL2095008 0.77 MAPT (0.51) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6289309 0.77 MAPT (0.55) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL1948706 0.77 MAPT (0.51) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6233494 0.77 POLB (0.58) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6021145 0.76 PDE4A (0.53) ALDH1A1KMT2ASMN1; SMN2L3MBTL1

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-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed
US-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 US disclosed