SCHEMBL8994407

SCHEMBL8994407

Cc1cccc(C(=O)c2nccnc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
PARP1 P09874 1/20 0.47
VNN1 O95497 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ENPP3 O14638 1/20 0.44
ALPL P05186 1/20 0.44
XIAP P98170 1/20 0.44
NT5E P21589 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CNR2 P34972 1/20 0.42
KMO O15229 1/20 0.42

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
SCHEMBL7366799 0.83 POLB (0.63) POLBPARP1VNN1SMN1; SMN2ALDH1A1
SCHEMBL7370711 0.83 POLB (0.63) POLBPARP1VNN1ALDH1A1KDM4E
SCHEMBL8994491 0.83 KDM4E (0.58) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL9045871 0.81 POLB (0.46) POLBPARP1VNN1SMN1; SMN2ALDH1A1
SCHEMBL8994512 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL186545 0.76 PARP1 (0.68) POLBPARP1SMN1; SMN2HPGDHDAC8
SCHEMBL29503529 0.76 PARP1 (0.68) POLBPARP1SMN1; SMN2HPGDHDAC8
SCHEMBL81347 0.75 ATM (0.71) POLBPARP1VNN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4636828 0.75 PARP1 (0.61) POLBPARP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29658753 0.75 ATM (0.71) POLBPARP1VNN1SMN1; SMN2ALDH1A1

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-5512564-A VIRICIDES, AIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-04-30 US disclosed
EP-0602097-B1 TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
EP-0602097-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005047-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed