SCHEMBL19964280

SCHEMBL19964280

COc1ccc2cc(CNC(=O)OC(C)(C)C)nc(OCc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ MTNR1A P48039 5/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ MTNR1B P49286 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4A O75164 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
SCHEMBL19964499 0.87 HDAC1 (0.46) HDAC1MEN1KMT2AKDM4A
SCHEMBL19964300 0.87 SYK (0.41) HDAC1MEN1KMT2ALMNAKDM4A
SCHEMBL19964492 0.85 PTGES (0.40) HDAC1MEN1KMT2AKDM4A
SCHEMBL19249247 0.85 MMP13 (0.47) DYRK1AMMP13MTNR1AMEN1KMT2A
SCHEMBL19964512 0.83 GABRA1 (0.39) HDAC1MEN1KMT2AKDM4A
SCHEMBL19964507 0.79 CA1 (0.37) HDAC1MEN1KMT2ASCDKDM4A
SCHEMBL3805722 0.79 MTNR1A (0.51) HDAC1MTNR1AMEN1KMT2AMTNR1B
SCHEMBL19248874 0.76 EGLN2 (0.42) MMP13HDAC1MEN1KMT2APLA2G2A
SCHEMBL20729415 0.76 BCHE (0.43) DYRK1AMMP13HDAC1MEN1KMT2A
SCHEMBL23491567 0.76 HDAC1 (0.41) DYRK1AMMP13HDAC1MTNR1AMEN1

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-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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