SCHEMBL13617481

SCHEMBL13617481

CO[N+](=O)c1cc(Br)cnc1C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
ELANE P08246 1/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
MAOB P27338 2/20 0.34
P4HTM Q9NXG6 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
PTGES O14684 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1222497 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL15865596 0.81 AAK1 (0.43) ALDH1A1ELANEKMT2AHTTMEN1
SCHEMBL12884492 0.78 PIN1 (0.39) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL8657646 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL1621780 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL30468543 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL25592222 0.67 L3MBTL1 (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL30458214 0.65 ALDH1A1 (0.49) ALDH1A1ELANEKMT2AMEN1MAOB
SCHEMBL21857352 0.65 PIN1 (0.56) KMT2AMEN1MAOBPTGESLMNA
SCHEMBL29457514 0.65 PIN1 (0.56) KMT2AMEN1MAOBPTGESLMNA

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-2009132774-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S. A. (ES) 2009-11-05 WO disclosed