SCHEMBL23081589

SCHEMBL23081589

CC(C)(C)OC(=O)NN=Cc1cc(F)cc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.62
RAB9A P51151 7/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
RECQL P46063 1/20 0.61
MAPT P10636 9/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.47
MEN1 O00255 4/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 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
SCHEMBL13903485 1.00 MIF (0.62) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL6443003 0.85 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL30525754 0.85 RAB9A (0.63) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23081511 0.85 RAB9A (0.63) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL22925017 0.84 LMNA (0.66) MIFRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23241901 0.80 MAPT (0.74) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23241902 0.80 MAPT (0.74) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23081339 0.78 MAPT (0.55) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL30525730 0.78 MAPT (0.55) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL12979794 0.78 MAPT (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL

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