SCHEMBL3716987

SCHEMBL3716987

CNc1ncc(C(=O)OC)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NOTUM Q6P988 1/20 0.43
PSMD14 O00487 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPK10 P53779 2/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL12143900 0.85 MAPK1 (0.47) MAPK1KDM4EL3MBTL1ATMCA12
SCHEMBL25209840 0.84 GABRG2 (0.36) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL15527552 0.84 CYP2C19 (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL25684289 0.83 SMN1; SMN2 (0.36) MAPK1KDM4EPOLBMAPTALDH1A1
SCHEMBL10387390 0.83 KDM4E (0.47) MAPK1KDM4EL3MBTL1POLBALDH1A1
SCHEMBL21097101 0.83 MAPK1 (0.45) MAPK1KDM4EL3MBTL1ATMCA12
SCHEMBL18358176 0.83 MAPK1 (0.45) MAPK1KDM4EL3MBTL1ATMCA12
SCHEMBL10387570 0.81 HCAR3 (0.35) MAPK1KDM4EL3MBTL1POLBMAPT
SCHEMBL19266144 0.81 ATM (0.50) MAPK1KDM4EL3MBTL1ATMCA12
SCHEMBL25579669 0.81 JMJD6 (0.40) L3MBTL1POLBMAPTALDH1A1TSHR

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