SCHEMBL7808024

SCHEMBL7808024

CC(=NN)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.58
CES1 P23141 10/20 0.58
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7808020 1.00 CES2 (0.58) CES2CES1MAPTL3MBTL1POLB
SCHEMBL13069013 1.00 CES2 (0.58) CES2CES1MAPTL3MBTL1POLB
SCHEMBL11411716 0.83 CES2 (0.48) CES2CES1MAPTL3MBTL1POLB
SCHEMBL449946 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL12424045 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL19932743 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL1049892 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL108031 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL28138711 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB
SCHEMBL17122194 0.80 CES2 (0.60) CES2CES1MAPTL3MBTL1POLB

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-1073626-A1 AZINE USED AS FUNGICIDES Bayer Aktiengesellschaft (DE) 2001-02-07 EP disclosed
WO-1999055665-A1 AZINE USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed