SCHEMBL19286238

SCHEMBL19286238

CC1CCC[C@@H]1[C@H](C)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR3 Q99500 1/20 0.38
ULK1 O75385 1/20 0.36
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL19286244 0.82 MAPT (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19286176 0.80 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL17470039 0.80 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1754979 0.78 MAPT (0.61) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19286246 0.77 MAPT (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19286188 0.72 MAPT (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19286275 0.71 MAPT (0.43) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL17470114 0.71 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1754959 0.71 MAPT (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL23129658 0.71 LMNA (0.46) MAPTMEN1KMT2AALDH1A1HTT

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed