SCHEMBL6204864

SCHEMBL6204864

COc1cccc(C([O])Br)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
AOC3 Q16853 3/20 0.49
ACHE P22303 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CASR P41180 2/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
POLB P06746 1/20 0.44
PARP1 P09874 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
SCHEMBL1742768 0.85 AOC3 (0.50) L3MBTL1AOC3ACHECES2CES1
SCHEMBL7681682 0.85 AOC3 (0.50) L3MBTL1AOC3ACHECES2CES1
SCHEMBL2093766 0.85 L3MBTL1 (0.53) L3MBTL1AOC3ACHECES2CES1
SCHEMBL4431450 0.83 CASR (0.50) L3MBTL1AOC3ACHEALDH1A1CA1
SCHEMBL8053712 0.83 L3MBTL1 (0.51) L3MBTL1AOC3ACHECES2CES1
SCHEMBL6202881 0.82 AOC3 (0.50) L3MBTL1AOC3ACHECES2CES1
SCHEMBL11618270 0.82 AOC3 (0.51) L3MBTL1AOC3ACHECA1CA2
SCHEMBL28759072 0.82 ACHE (0.52) L3MBTL1AOC3ACHECES2CES1
SCHEMBL6204866 0.82 AOC3 (0.56) L3MBTL1AOC3ACHECES2CES1
SCHEMBL11563492 0.82 AOC3 (0.50) L3MBTL1AOC3ACHECES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed