SCHEMBL7066753

SCHEMBL7066753

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(/N=N/S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
MAPT P10636 4/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
METAP2 P50579 1/20 0.45
RPA1 P27694 1/20 0.44
ALB P02768 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
ACLY P53396 1/20 0.42
SERPINE1 P05121 4/20 0.41
MEN1 O00255 1/20 0.41
ABL1 P00519 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7066756 1.00 KCNK2 (0.47) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL7067188 0.82 METAP2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3METAP2
SCHEMBL7067191 0.82 METAP2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3METAP2
SCHEMBL6353396 0.81 RPA1 (0.58) KCNK2KCNK10MAPTMETAP2RPA1
SCHEMBL1308635 0.79 AKR1C2 (0.65) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL7062731 0.79 METAP2 (0.44) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL7062734 0.79 METAP2 (0.44) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL6349927 0.77 MAPT (0.63) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL6349921 0.77 MAPT (0.63) KCNK2KCNK10MAPTAKR1C2AKR1C1
SCHEMBL17166275 0.75 AKR1C2 (0.73) KCNK2KCNK10MAPTAKR1C2AKR1C1

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-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed