SCHEMBL23081599

SCHEMBL23081599

CC(C)(C)OC(=O)NN=Cc1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MIF P14174 1/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30525756 1.00 MAPT (0.54) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL29874891 0.87 SMN1; SMN2 (0.52) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL30525730 0.80 MAPT (0.55) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL23081339 0.80 MAPT (0.55) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL15677682 0.79 MEN1 (0.67) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL4816435 0.78 MEN1 (0.64) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL12979304 0.78 SMN1; SMN2 (0.68) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL4816442 0.78 MEN1 (0.64) MAPTMEN1KMT2AMIFRAB9A
SCHEMBL23070193 0.78 CYP1A2 (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL31309757 0.77 MAPT (0.59) MAPTMEN1KMT2AMIFRAB9A

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-2021046515-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-11 WO disclosed