SCHEMBL6817581

SCHEMBL6817581

N#Cc1ccc(NC(=O)c2onc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc23)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
CDK1 P06493 4/20 0.44
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
EIF4E P06730 1/20 0.42
LRRK2 Q5S007 1/20 0.41
JAK2 O60674 1/20 0.41
CSF1R P07333 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A7 Q99884 1/20 0.38
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
FASN P49327 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRSS12 P56730 1/20 0.37

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
SCHEMBL6834205 0.87 ALB (0.51) ALBCDK1MKNK1MKNK2EIF4E
SCHEMBL6819716 0.84 PRSS12 (0.47) ALBEGLN1MEN1KMT2APRSS12
SCHEMBL6818686 0.80 ALB (0.69) ALBMAPT
SCHEMBL6819451 0.80 ALB (0.45) ALBLRRK2PRSS12
SCHEMBL6814346 0.77 ALB (0.42) ALBMAPTMEN1KMT2APRSS12
SCHEMBL7129786 0.77 ALB (0.42) ALBPRSS12
SCHEMBL6817648 0.77 ABCG2 (0.42) MAPTMEN1KMT2APRSS12
SCHEMBL6818903 0.76 PRSS12 (0.40) ALBMAPTPRSS12
SCHEMBL6347749 0.76 ALB (0.62) ALBMEN1KMT2A
SCHEMBL6818221 0.76 ALB (0.44) ALBMAPTMEN1KMT2APRSS12

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed