SCHEMBL23019643

SCHEMBL23019643

CN/C(=C\C=C/C=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 4/20 0.33
CES1 P23141 3/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL12963614 0.86 TDP1 (0.45) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL10228486 0.75 TDP1 (0.35) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL13825219 0.75 ALDH1A1 (0.40) TDP1MAPK1ALDH1A1LMNATRPA1
SCHEMBL19624772 0.75 AKT1 (0.39) TDP1MAPK1ALDH1A1LMNATSHR
SCHEMBL30698175 0.75 ALDH1A1 (0.40) TDP1MAPK1ALDH1A1LMNATRPA1
SCHEMBL1825351 0.74 ALDH1A1 (0.43) TDP1MAPK1ALDH1A1LMNATRPA1
SCHEMBL3097579 0.74 ALDH1A1 (0.43) TDP1MAPK1ALDH1A1LMNATRPA1
SCHEMBL23969682 0.74 ALDH1A1 (0.46) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL13066991 0.73 TDP1 (0.41) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL21659115 0.73 MTNR1A (0.44) TDP1MAPK1ALDH1A1TSHRMAPT

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
EP-3277677-B1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-02-24 EP disclosed