SCHEMBL7129786

SCHEMBL7129786

N#Cc1ccc(NC(=O)c2onc3ccc([AsH2])cc23)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.42
CDK2 P24941 3/20 0.38
PRSS12 P56730 2/20 0.36
MAP2K1 Q02750 1/20 0.36
PIN1 Q13526 1/20 0.36
HTT P42858 1/20 0.34
STING1 Q86WV6 1/20 0.34
F10 P00742 1/20 0.34
GFER P55789 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PKM P14618 2/20 0.33
TYMS P04818 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6814346 0.88 ALB (0.42) ALBPRSS12MAP2K1STING1
SCHEMBL6818221 0.86 ALB (0.44) ALBCDK2PRSS12MAP2K1HTT
SCHEMBL6819716 0.86 PRSS12 (0.47) ALBCDK2PRSS12HTTGFER
SCHEMBL7126301 0.86 PDE10A (0.34) ALBF10PDE10APKMDYRK1A
SCHEMBL6822703 0.84 ALB (0.48) ALBCDK2PRSS12MAP2K1STING1
SCHEMBL6818082 0.83 F2 (0.50) ALBHTTPKM
SCHEMBL6819451 0.83 ALB (0.45) ALBPRSS12
SCHEMBL6818947 0.82 ALB (0.42) ALBF10
SCHEMBL6814176 0.82 ALB (0.47) ALBCDK2PRSS12MAP2K1F10
SCHEMBL6813727 0.82 ALB (0.44) ALBCDK2

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