SCHEMBL17338577

SCHEMBL17338577

COC(=O)[C@@H](NC(=O)c1c[nH]c2cc(Cc3ccccc3)c(Br)cc2c1=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TACR3 P29371 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
BACE1 P56817 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39

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
SCHEMBL17338648 0.92 POLB (0.46) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338624 0.91 POLB (0.45) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338555 0.91 POLB (0.49) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338635 0.88 POLB (0.46) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338614 0.88 POLB (0.46) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338586 0.87 ALDH1A1 (0.54) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338634 0.86 POLB (0.47) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338563 0.85 GABRA1 (0.62) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338642 0.84 POLB (0.44) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17338641 0.83 ITGB2 (0.44) POLBSMN1; SMN2LMNAMAPTALDH1A1

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