SCHEMBL6820255

SCHEMBL6820255

N#Cc1ccc(NC(=O)c2onc3cc(-c4ccc([N+](=O)[O-])cc4C(F)(F)F)c([N+](=O)[O-])cc23)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
PYGL P06737 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RORC P51449 1/20 0.35
ALB P02768 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
GRIK1 P39086 1/20 0.34
ERO1A Q96HE7 1/20 0.33
GFER P55789 1/20 0.33
MYC P01106 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
Sulfuric Acid SCHEMBL6818475 0.97 KCNK2 (0.37) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6833135 0.89 KCNK2 (0.40) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
Sulfuric Acid SCHEMBL6834053 0.86 KCNK2 (0.38) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6818135 0.79 RORC (0.34) MEN1KMT2ARORCALBKDM4E
SCHEMBL6818219 0.79 AKR1C2 (0.35) KCNK2KCNK10AKR1C2AKR1C1MEN1
SCHEMBL6818868 0.75 KMT2A (0.38) MEN1KMT2AALBMAPTALDH1A1
Sulfuric Acid SCHEMBL6819163 0.75 AKR1C2 (0.44) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6709076 0.74 LMNA (0.35) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL6709124 0.74 LMNA (0.35) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL6833928 0.73 HIF1A (0.47) KCNK2KCNK10AKR1C2AKR1C1AKR1C4

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