SCHEMBL25839509

SCHEMBL25839509

CC(=O)COC(=O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 9/20 0.60
TSHR P16473 3/20 0.60
GLA P06280 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.54
AGTR1 P30556 2/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 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
SCHEMBL714886 0.80 RAB9A (0.61) L3MBTL1KDM4ETSHRRAB9ALMNA
Ethyl Isonicotinate SCHEMBL24935 0.80 CA12 (0.62) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL15953935 0.79 L3MBTL1 (0.59) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL28168859 0.79 L3MBTL1 (0.51) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL4791866 0.79 L3MBTL1 (0.63) L3MBTL1KDM4ELMNAALDH1A1AGTR1
Ethyl Isonicotinate SCHEMBL11194007 0.78 CA12 (0.60) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL24112404 0.78 RAB9A (0.64) L3MBTL1KDM4ERAB9ALMNAALDH1A1
SCHEMBL28225773 0.78 L3MBTL1 (0.58) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL21219627 0.78 KDM4E (0.61) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL21219622 0.78 KDM4E (0.61) L3MBTL1KDM4ETSHRGLARAB9A

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-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed