SCHEMBL20342136

SCHEMBL20342136

CC(=O)Cc1ocnc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 9/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 1/20 0.34
CHRNA4 P43681 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
PKM P14618 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 5/20 0.32
HSD17B10 Q99714 4/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL790 0.70
SCHEMBL23684368 0.70
SCHEMBL8613762 0.68
Hydrochloric Acid SCHEMBL25323764 0.68
SCHEMBL23708983 0.67
SCHEMBL24896362 0.67
SCHEMBL2139234 0.67
SCHEMBL8176575 0.67
SCHEMBL8616571 0.66 KMT2A (0.50) KMT2AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL21858123 0.65 PPARG (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1

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
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed