SCHEMBL6739346

SCHEMBL6739346

Nc1cc2[nH]c(=O)[nH]c2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
GAA P10253 4/20 0.38
PKM P14618 2/20 0.38
SRC P12931 2/20 0.38
BRD4 O60885 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
GFER P55789 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2894232 0.83 PDE3B (0.50) PDE3BPDE3AGAAPKMMEN1
SCHEMBL1829719 0.73 GRIN2D (0.50) PDE3BPDE3AGAAPKMSRC
SCHEMBL1115539 0.73 GRIA1 (0.50) PDE3BPDE3AGAAPKMMEN1
SCHEMBL3341909 0.73 CASP7 (0.49) PDE3BPDE3AGAAPKMMEN1
SCHEMBL1827312 0.73 ALDH1A1 (0.53) PDE3BPDE3AGAAPKMALDH1A1
SCHEMBL17758383 0.73 PDE3B (0.41) PDE3BPDE3AGAAPKMALDH1A1
SCHEMBL11317347 0.72 IDO1 (0.46) PDE3BPDE3AGAAPKMMEN1
SCHEMBL3876188 0.71 SRC (0.64) GAAPKMSRCPRKACAPRKACG
SCHEMBL3876544 0.71 SRC (0.64) GAAPKMSRCPRKACAPRKACG
SCHEMBL17758363 0.71 PDE3B (0.36) PDE3BPDE3AGAAPKMMEN1

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
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP disclosed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO disclosed