SCHEMBL29554609

SCHEMBL29554609

NCOC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
APP P05067 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
PKM P14618 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
LMNA P02545 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AGTR1 P30556 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17205087 1.00 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL14369820 0.86 APP (0.56) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL27221774 0.85 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4EGAAAPP
Hydrochloric Acid SCHEMBL3467777 0.84 APP (0.55) L3MBTL1ALDH1A1KDM4EGAAAPP
Hydrochloric Acid SCHEMBL27528768 0.84 APP (0.55) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL1503221 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL30099767 0.83 L3MBTL1 (0.60) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL14000640 0.82 APP (0.56) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL1818702 0.81 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EGAAAPP
SCHEMBL2149142 0.81 NPSR1 (0.57) L3MBTL1ALDH1A1KDM4EGAAAPP

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
CN-110997107-B Process and system for capturing carbon dioxide 联邦科学与工业研究组织 2022-05-27 CN disclosed