SCHEMBL6818686

SCHEMBL6818686

N#Cc1ccc(NC(=O)c2onc3ccc(S(=O)(=O)N4CCOCC4)cc23)c(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 8/20 0.69
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6833124 0.87 ALB (0.69) ALBALDH1A1GAAKDM4ERXFP1
SCHEMBL6822703 0.84 ALB (0.48) ALBALDH1A1SMN1; SMN2LMNA
SCHEMBL6814176 0.83 ALB (0.47) ALBALDH1A1KDM4E
SCHEMBL6349827 0.82 ALB (1.00) ALBALDH1A1GAAKDM4E
SCHEMBL6821469 0.82 ALB (0.46) ALBALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6818410 0.80 GPR27 (0.48) ALB
SCHEMBL6817581 0.80 ALB (0.51) ALBMAPT
SCHEMBL6833965 0.80 ALB (0.54) ALBALDH1A1GAAKDM4ERXFP1
SCHEMBL6353328 0.80 ALB (0.81) ALBALDH1A1GAA
SCHEMBL6818533 0.80 ALDH1A1 (0.49) ALBALDH1A1GAAKDM4ERXFP1

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