SCHEMBL23081511

SCHEMBL23081511

CC(C)(C)OC(=O)NN=Cc1cncc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
MIF P14174 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 4/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 8/20 0.53
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL30525754 1.00 RAB9A (0.63) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL13903485 0.85 MIF (0.62) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL23081589 0.85 MIF (0.62) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL29201275 0.83 RAB9A (0.62) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL21914766 0.83 RAB9A (0.62) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL6443003 0.79 MIF (0.76) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL21914676 0.77 RAB9A (1.00) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL13401226 0.77 RAB9A (1.00) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL21847106 0.77 RAB9A (1.00) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL13401228 0.76 MIF (0.71) RAB9AMIFSMN1; SMN2NPC1RECQL

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