SCHEMBL22726445

SCHEMBL22726445

CC/C(=N\OC)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL3070004 0.79 CES2 (0.43) CES2CES1RAB9ANPC1GAA
SCHEMBL2776826 0.79 CES2 (0.43) CES2CES1RAB9ANPC1GAA
SCHEMBL2776829 0.79 CES2 (0.43) CES2CES1RAB9ANPC1GAA
SCHEMBL6811793 0.76 ALDH1A1 (0.50) CES2CES1RAB9ANPC1GAA
SCHEMBL10017399 0.76 ALDH1A1 (0.50) CES2CES1RAB9ANPC1GAA
SCHEMBL12317988 0.76 ALDH1A1 (0.50) CES2CES1RAB9ANPC1GAA
SCHEMBL15932254 0.71 CES2 (0.44) CES2CES1RAB9ANPC1TP53
SCHEMBL10265221 0.71 CES2 (0.44) CES2CES1RAB9ANPC1GAA
SCHEMBL10205134 0.71 CES2 (0.44) CES2CES1RAB9ANPC1GAA
SCHEMBL11457463 0.70 CES2 (0.52) CES2CES1RAB9ANPC1TP53

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-2020243008-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2020-12-03 WO disclosed