SCHEMBL23635342

SCHEMBL23635342

CCOC(=O)/C(=C\N(C)C)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL20543516 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL20543518 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL21572106 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL23630301 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHPGDHCAR2
SCHEMBL9502710 0.83 ALDH1A1 (0.51) NR1H4ALDH1A1KMT2AMEN1MAPT
SCHEMBL9502712 0.83 ALDH1A1 (0.51) NR1H4ALDH1A1KMT2AMEN1MAPT
SCHEMBL31384648 0.82 ALDH1A1 (0.50) NR1H4ALDH1A1KMT2AMEN1MAPT
SCHEMBL31514418 0.82 ALDH1A1 (0.50) NR1H4ALDH1A1KMT2AMEN1MAPT
SCHEMBL31384696 0.81 NR1H4 (0.49) NR1H4ALDH1A1KMT2AMEN1MAPT
SCHEMBL13924823 0.81 NR1H4 (0.49) NR1H4ALDH1A1KMT2AMEN1MAPT

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed