SCHEMBL3855902

SCHEMBL3855902

Cc1cccc2c1C(C(=O)O)c1ccccc1N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
NFKB1 P19838 1/20 0.39
RELA Q04206 1/20 0.39
EGFR P00533 2/20 0.38
NLRP3 Q96P20 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
PBRM1 Q86U86 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2995499 0.81 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4ETDP1
Hydrochloric Acid SCHEMBL2986141 0.79 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL9449948 0.76 HDAC3 (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28733042 0.75 HTR2C (0.42) ALDH1A1PBRM1TNKS2MEN1KMT2A
SCHEMBL7594082 0.75 MAPT (0.36) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL1461839 0.73 MAPT (0.56) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL4214722 0.72 HTT (0.55) MAPTL3MBTL1HPGDCYP1A2MEN1
SCHEMBL6024420 0.71 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL13092132 0.69 MAPT (0.48) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL6882114 0.69 CHRNB2 (0.39) ALDH1A1MAPTL3MBTL1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509601-A4 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN INC (US) 2009-01-14 EP disclosed
EP-1509601-A1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN, INC. (US) 2005-03-02 EP disclosed
WO-2003104447-A1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN, INC. (US) 2003-12-18 WO disclosed