SCHEMBL625509

SCHEMBL625509

O=c1[nH]c2ccc(CBr)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
PKM P14618 1/20 0.63
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
GRIA1 P42261 4/20 0.41
CACNG8 Q8WXS5 3/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMKMT2AMEN1PDE3B
SCHEMBL7028337 0.81 CA12 (0.50) GAAPKMKMT2AMEN1PDE3B
SCHEMBL7026650 0.81 PARP1 (0.48) GAAPKMPDE3BPDE3AALDH1A1
SCHEMBL29133433 0.80 GAA (0.54) GAAPKMKMT2AMEN1PDE3B
SCHEMBL2056376 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL9619832 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL3818109 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL1763460 0.79 GAA (0.96) GAAPKMKMT2AMEN1PDE3B
SCHEMBL7597403 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL6766573 0.79 GAA (0.58) GAAPKMKMT2AMEN1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003517459-A 2003-05-27 JP claimed
EP-1173423-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS American Home Products Corporation (US) 2002-01-23 EP claimed
WO-2000066564-A1 BENZIMIDAZOLONES AND ANALOGUES AND THEIR USE AS PROGESTERONE RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP disclosed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed