SCHEMBL11548699

SCHEMBL11548699

CCCCCCN1C(=O)c2cccc(Br)c2C1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 10/20 0.51
CES1 P23141 2/20 0.51
ALDH1A1 P00352 3/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
CYP1B1 Q16678 1/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44

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
SCHEMBL19351938 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL11548626 0.98 ALDH1A1 (0.50) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17510028 0.88 CYP1B1 (0.52) ALDH1A1CYP1B1MEN1MAPTKMT2A
SCHEMBL2420623 0.84 PTGS1 (0.52) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL14673147 0.84 PTGS1 (0.52) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17146888 0.84 PTGS1 (0.52) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL2890361 0.82 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL10451019 0.82 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL10451374 0.82 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL14560523 0.82 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103804725-B Tyre element and manufacture method thereof 东洋橡胶工业株式会社 2016-10-26 CN disclosed
CN-102625695-B Long acting insulin composition SANOFI AVENTIS DEUTSCHLAND 2015-05-27 CN disclosed
CN-102548583-B Prodrugs comprising an insulin linker conjugate SANOFI AVENTIS 2015-04-22 CN disclosed
CN-102625695-A Long acting insulin composition SANOFI AVENTIS DEUTSCHLAND 2012-08-01 CN disclosed
CN-102548583-A Prodrugs comprising an insulin linker conjugate ASCENDIS PHARMA AS 2012-07-04 CN disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US disclosed