SCHEMBL6819451

SCHEMBL6819451

CS(=O)(=O)c1ccc(-c2ccc3noc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.45
PRSS12 P56730 2/20 0.40
LRRK2 Q5S007 7/20 0.36
KIT P10721 1/20 0.36
KAT6A Q92794 1/20 0.35
PDE4B Q07343 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL6819716 0.89 PRSS12 (0.47) ALBPRSS12KAT6A
SCHEMBL6821469 0.86 ALB (0.46) ALBSIRT2
SCHEMBL6833166 0.86 ALB (0.45) ALBPRSS12KITKAT6ASIRT2
SCHEMBL6814176 0.85 ALB (0.47) ALBPRSS12LRRK2KAT6APDE4B
SCHEMBL6822703 0.85 ALB (0.48) ALBPRSS12PDE4B
SCHEMBL6818533 0.84 ALDH1A1 (0.49) ALB
SCHEMBL6818947 0.84 ALB (0.42) ALBLRRK2
SCHEMBL7129786 0.83 ALB (0.42) ALBPRSS12
SCHEMBL6818226 0.83 ALB (0.43) ALB
SCHEMBL6817648 0.82 ABCG2 (0.42) PRSS12

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