SCHEMBL3715096

SCHEMBL3715096

CCOC(=O)c1cc(-c2ccccc2F)nc(Br)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.45
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2B P29275 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TACR3 P29371 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 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
SCHEMBL3714828 0.86 KDM4E (0.46) HPGDKDM4EL3MBTL1POLBADORA2A
SCHEMBL3711261 0.80 CASP1 (0.42) HPGDKDM4EL3MBTL1POLBALDH1A1
SCHEMBL10756170 0.78 TACR3 (0.59) HPGDKDM4EL3MBTL1POLBALDH1A1
SCHEMBL3717261 0.78 MAPT (0.53) HPGDKDM4EL3MBTL1POLBALDH1A1
SCHEMBL3711258 0.77 DCTPP1 (0.47) HPGDKDM4EL3MBTL1POLBALDH1A1
SCHEMBL3709546 0.77 ALDH1A1 (0.59) HPGDKDM4EPOLBALDH1A1GLA
SCHEMBL3719963 0.77 ALDH1A1 (0.56) HPGDKDM4EL3MBTL1POLBALDH1A1
SCHEMBL3713427 0.76 KDM4E (0.46) HPGDKDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL3710606 0.75 GRM5 (0.42) HPGDKDM4EL3MBTL1POLBADORA3
SCHEMBL3709285 0.74 KDM4E (0.43) KDM4EPOLBALDH1A1NPSR1HSD17B10

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