SCHEMBL7652937

SCHEMBL7652937

Cc1ccc(-n2nc(-c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2C9 P11712 3/20 0.41
HTT P42858 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL7652506 0.94 TNKS (0.50) TNKSPARP1TNKS2ADORA3HTT
SCHEMBL7650664 0.89 ADORA3 (0.44) TNKSPARP1TNKS2ADORA3POLB
SCHEMBL7654423 0.84 ALDH1A1 (0.47) TNKSTNKS2ADORA3L3MBTL1MAPT
SCHEMBL7652832 0.84 RPA1 (0.51) ADORA3L3MBTL1HTTGABRA1GABRG2
SCHEMBL7653825 0.84 ATM (0.58) TNKSPARP1TNKS2ADORA3L3MBTL1
SCHEMBL7649183 0.80 CDK4 (0.43) TNKSPARP1TNKS2ADORA3POLB
SCHEMBL7656228 0.79 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1KDM4EHPGD
SCHEMBL7660378 0.78 ALDH1A1 (0.53) TNKSTNKS2L3MBTL1MAPTGAA
SCHEMBL7652867 0.78 ALDH1A1 (0.48) TNKSPARP1TNKS2POLBL3MBTL1
SCHEMBL20078779 0.78 TNKS (0.50) TNKSPARP1TNKS2ADORA3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed