SCHEMBL19249245

SCHEMBL19249245

CCCCOc1cc(CNC(=O)OC(C)(C)C)nc2ccc(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.46
▸ DYRK1A Q13627 2/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ TSHR P16473 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ KCNH2 Q12809 3/20 0.42
▸ BRD4 O60885 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL19249244 0.90 CA2 (0.40) PLA2G2ADYRK1AKDM4EMAPT
SCHEMBL19248870 0.89 EGLN2 (0.40) HSD17B10
SCHEMBL19248872 0.89 NQO2 (0.43) PLA2G2ADYRK1ANPC1RAB9AL3MBTL1
SCHEMBL19249247 0.86 MMP13 (0.47) PLA2G2ADYRK1AMTNR1AMTNR1BSLC2A1
SCHEMBL19249249 0.80 PLA2G2A (0.46) PLA2G2AMTNR1AMTNR1BKCNH2KDM4E
SCHEMBL20729415 0.79 BCHE (0.43) PLA2G2ADYRK1ASLC2A1BRD4KDM4E
SCHEMBL13191484 0.79 CNR1 (0.49) MTNR1AMTNR1BTSHRGFERHSD17B10
SCHEMBL19248874 0.78 EGLN2 (0.42) PLA2G2AKDM4ENPC1RAB9AMAPT
SCHEMBL23491567 0.77 HDAC1 (0.41) PLA2G2ADYRK1AMTNR1AMTNR1BSLC2A1
SCHEMBL19248873 0.75 NQO2 (0.45) NPC1RAB9A

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-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 — — WO disclosed
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