SCHEMBL7386922

SCHEMBL7386922

Cc1cc([O])cc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 1/20 0.47
ADORA2A P29274 1/20 0.45
GAA P10253 2/20 0.44
CASP6 P55212 1/20 0.44
TLR9 Q9NR96 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
SCHEMBL5604859 0.89 GRM5 (0.62) GRM5MEN1KMT2AALDH1A1ADORA2A
SCHEMBL30792888 0.89 GRM5 (0.62) GRM5MEN1KMT2AALDH1A1ADORA2A
SCHEMBL7334559 0.81 GRM5 (0.58) GRM5MEN1KMT2A
SCHEMBL30758580 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1ADORA2AGAA
SCHEMBL30777591 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1ADORA2AGAA
SCHEMBL259386 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1ADORA2AGAA
SCHEMBL325212 0.77 ALDH1A1 (0.72) MEN1KMT2AALDH1A1ADORA2AGAA
SCHEMBL30472945 0.77 ALDH1A1 (0.72) MEN1KMT2AALDH1A1ADORA2AGAA
SCHEMBL4101226 0.74 ALDH1A1 (0.73) MEN1KMT2AALDH1A1GAA
SCHEMBL22129204 0.74 HTT (0.57) GRM5MEN1KMT2AALDH1A1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824679-A Phosphanoxides--preparation and use BOEHRINGER MANNHEIM GMBH (DE) 1998-10-20 US disclosed
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed
EP-0778839-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006849-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed