SCHEMBL3718115

SCHEMBL3718115

CCOC(=O)c1cc(-c2ccccc2)nc(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.61
KDM4E B2RXH2 7/20 0.60
MAPK1 P28482 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 8/20 0.54
HPGD P15428 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
HSD17B10 Q99714 3/20 0.54
ATM Q13315 2/20 0.53
MAPT P10636 9/20 0.49
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
TP53 P04637 2/20 0.48

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
SCHEMBL3713454 0.88 DCTPP1 (0.52) CCR6KDM4EMAPK1L3MBTL1TDP1
SCHEMBL3714094 0.86 MAPT (0.53) CCR6KDM4EMAPK1L3MBTL1TDP1
SCHEMBL3714828 0.83 KDM4E (0.46) CCR6KDM4EMAPK1L3MBTL1TDP1
SCHEMBL3713561 0.80 ALDH1A1 (0.55) KDM4EL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL3713642 0.80 ALDH1A1 (0.61) KDM4ETDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3712446 0.80 TSHR (0.45) CCR6KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL3712569 0.79 KDM4E (0.48) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL10678483 0.78 KDM4E (0.79) CCR6KDM4EMAPK1L3MBTL1TDP1
SCHEMBL31531878 0.78 KDM4E (0.79) CCR6KDM4EMAPK1L3MBTL1TDP1
SCHEMBL3713455 0.78 CASP1 (0.44) CCR6KDM4EMAPK1L3MBTL1TDP1

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