SCHEMBL3717261

SCHEMBL3717261

CCOC(=O)c1cc(-c2ccc(OC)cc2)nc(Br)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 9/20 0.51
HPGD P15428 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
UBE2N P61088 1/20 0.51
POLB P06746 3/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 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
SCHEMBL3714094 0.88 MAPT (0.53) MAPTL3MBTL1NPC1RAB9AKDM4E
SCHEMBL3711258 0.82 DCTPP1 (0.47) MAPTL3MBTL1NPC1RAB9AKDM4E
SCHEMBL11861385 0.80 GAA (0.66) MAPTL3MBTL1NPC1RAB9AKDM4E
SCHEMBL3713427 0.79 KDM4E (0.46) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9266977 0.78 HTT (0.57) MAPTL3MBTL1NPC1RAB9AKDM4E
SCHEMBL3711261 0.78 CASP1 (0.42) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3719963 0.78 ALDH1A1 (0.56) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL3709546 0.78 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL3715096 0.78 HPGD (0.45) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL3714526 0.76 PLA2G2A (0.57) MAPTL3MBTL1KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed