SCHEMBL30149162

SCHEMBL30149162

COC(=O)/C(C#N)=C(\N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 2/20 0.45
XBP1 P17861 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.44
IDO1 P14902 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
PARP1 P09874 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28397590 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL548361 0.83 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL6883495 0.83 MAPT (0.47) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL18025369 0.83 MEN1 (0.49) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL230664 0.83 MEN1 (0.49) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL26188658 0.83 IDO1 (0.40) ALDH1A1MAPTTSHRIDO1TDP1
SCHEMBL326352 0.83 MEN1 (0.49) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL26188664 0.81 APP (0.46) ALDH1A1MAPTMAPK1RAB9ATSHR
SCHEMBL18078308 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL18078309 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RAB9ALMNA

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-2022220294-A1 PEST CONTROL COMPOSITION AND CONTROL METHOD 住友化学株式会社 2022-10-20 WO disclosed