SCHEMBL3788064

SCHEMBL3788064

CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CCR6 P51684 1/20 0.47
HTT P42858 1/20 0.45
HPGD P15428 3/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SGK1 O00141 1/20 0.43
TARBP2 Q15633 1/20 0.43

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
SCHEMBL3786840 0.89 KDM4E (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3789178 0.89 KDM4E (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12118859 0.83 ALDH1A1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13188300 0.81 SGK1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29904820 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12118854 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14894867 0.77 PLA2G2A (0.49) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL14760220 0.77 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL29904837 0.77 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21418350 0.76 ALDH1A1 (0.49) MAPTMEN1KMT2ANPC1RAB9A

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