SCHEMBL5334669

SCHEMBL5334669

COC(=O)OCCc1c(Br)cc(Br)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX12 P18054 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RXFP1 Q9HBX9 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5338579 0.76 KDM4E (0.58) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL5451976 0.72 KDM4E (0.54) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL11639254 0.70 TDP1 (0.54) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL18095730 0.69 ALDH1A1 (0.59) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL21902359 0.68 KDM4E (0.59) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL12072279 0.68 KDM4E (0.55) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL19128191 0.67 KDM4E (0.53) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL11089239 0.67 ALDH1A1 (0.59) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL620812 0.67 KDM4E (0.57) KDM4EMEN1KMT2ATDP1HTT
SCHEMBL22031968 0.66 KMT2A (0.45) KDM4EMEN1KMT2ATDP1HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157408-B2 5,7-Dibromo-8-(2-hydroxyethyl) quinoline and 5,7-dibromo-8-(2-methoxycarbonyloxyethyl) quinoline, for treating plant diseases VALENT BIOSCIENCES CORPORATION (US) 2007-01-02 US claimed
WO-2005060748-A1 FUNGICIDE VALENT BIOSCIENCES CORPORATION (US) 2005-07-07 WO claimed
US-20050131013-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2005-06-16 US claimed
US-7157408-B2 5,7-Dibromo-8-(2-hydroxyethyl) quinoline and 5,7-dibromo-8-(2-methoxycarbonyloxyethyl) quinoline, for treating plant diseases VALENT BIOSCIENCES CORPORATION (US) 2007-01-02 US disclosed
US-7157408-B2 5,7-Dibromo-8-(2-hydroxyethyl) quinoline and 5,7-dibromo-8-(2-methoxycarbonyloxyethyl) quinoline, for treating plant diseases VALENT BIOSCIENCES CORPORATION (US) 2007-01-02 US disclosed
WO-2005060748-A1 FUNGICIDE VALENT BIOSCIENCES CORPORATION (US) 2005-07-07 WO disclosed
WO-2005060748-A1 FUNGICIDE VALENT BIOSCIENCES CORPORATION (US) 2005-07-07 WO disclosed
US-20050131013-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2005-06-16 US disclosed
US-20050131013-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2005-06-16 US disclosed