SCHEMBL6169286

SCHEMBL6169286

COc1ccc(Cn2nc([N+](=O)[O-])cc2OC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL27878889 0.91 ALDH1A1 (0.50) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL6166926 0.90 ALDH1A1 (0.52) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL6169282 0.83 ALDH1A1 (0.52) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL21245001 0.80 ALDH1A1 (0.64) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL1576768 0.80 ALDH1A1 (0.53) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL26104511 0.80 ALDH1A1 (0.50) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL15768011 0.79 HTT (0.45) ALDH1A1POLBHTTSMN1; SMN2CYP1A2
SCHEMBL26103485 0.77 ALDH1A1 (0.48) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL26102819 0.76 ALDH1A1 (0.45) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL15768033 0.75 HTT (0.42) ALDH1A1POLBHTTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP disclosed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 WO disclosed