SCHEMBL3711489

SCHEMBL3711489

COC(=O)c1cc(OC)nc(Br)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL4270611 0.85 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1LMNACYP1A2
SCHEMBL15020087 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL2897680 0.80 LMNA (0.71) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL9423136 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL4038668 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL1760242 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL31229792 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL4038801 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL4038797 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL15019512 0.76 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1LMNATDP1

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 1 patent. 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