SCHEMBL3714828

SCHEMBL3714828

CCOC(=O)c1cc(-c2ccccc2F)nc(Br)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
ADORA2A P29274 4/20 0.45
ADORA1 P30542 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA2B P29275 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 3/20 0.43
TSHR P16473 1/20 0.43
CCR6 P51684 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41

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
SCHEMBL3715096 0.86 HPGD (0.45) KDM4EHPGDL3MBTL1POLBADORA2A
SCHEMBL3718115 0.83 CCR6 (0.61) KDM4EHPGDL3MBTL1ALDH1A1NPSR1
SCHEMBL10756170 0.80 TACR3 (0.59) KDM4EHPGDL3MBTL1POLBALDH1A1
SCHEMBL3713455 0.79 CASP1 (0.44) KDM4EHPGDL3MBTL1POLBALDH1A1
SCHEMBL3711881 0.78 JMJD6 (0.51) KDM4EHPGDL3MBTL1POLBJAK2
SCHEMBL3713561 0.76 ALDH1A1 (0.55) KDM4EHPGDL3MBTL1POLBADORA2A
SCHEMBL3713454 0.76 DCTPP1 (0.52) KDM4EHPGDL3MBTL1POLBALDH1A1
SCHEMBL3713642 0.76 ALDH1A1 (0.61) KDM4EHPGDPOLBADORA2AADORA1
SCHEMBL30925054 0.75 ADORA2A (0.55) KDM4EHPGDL3MBTL1POLBADORA2A
SCHEMBL3712569 0.75 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1TSHRTDP1

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