SCHEMBL17338570

SCHEMBL17338570

COC(=O)CNC(=O)c1c[nH]c2cc(Cc3ccccc3)c(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BACE1 P56817 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX5 P09917 1/20 0.44
ADORA2A P29274 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17338637 0.92 POLB (0.51) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338541 0.90 LMNA (0.57) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338532 0.90 POLB (0.52) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338565 0.84 MAPT (0.53) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338542 0.84 GABRA1 (0.64) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338555 0.83 POLB (0.49) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338533 0.82 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDGABRA1GABRB2
SCHEMBL17338634 0.81 POLB (0.47) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338586 0.81 ALDH1A1 (0.54) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17338577 0.81 POLB (0.48) POLBLMNASMN1; SMN2ALDH1A1MAPT

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-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 WO disclosed