SCHEMBL7772064

SCHEMBL7772064

COC(=O)Cn1c(C)cc(Cc2ccsc2)c([N+](=O)[O-])c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LTA4H P09960 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.33
RCE1 Q9Y256 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8125439 0.89 FPR1 (0.39) FPR1FPR2HTTIDH1KDM4E
SCHEMBL7771927 0.85 KDM4E (0.44) FPR1FPR2POLBMAPTHTT
SCHEMBL7771919 0.83 POLB (0.39) FPR1POLBMAPTHTTKDM4E
SCHEMBL7772054 0.83 FPR1 (0.41) FPR1FPR2POLBHTTIDH1
SCHEMBL7772080 0.82 ALDH1A1 (0.38) POLBMAPTHTTKDM4ESMN1; SMN2
SCHEMBL7775674 0.81 TP53 (0.48) FPR1FPR2POLBMAPTHTT
SCHEMBL7771637 0.81 SMN1; SMN2 (0.41) FPR1FPR2POLBMAPTHTT
SCHEMBL7767875 0.81 KDM4E (0.43) POLBMAPTHTTIDH1KDM4E
SCHEMBL7773566 0.75 MAPT (0.44) POLBMAPTHTTKDM4ESMN1; SMN2
SCHEMBL7773577 0.74 KAT2B (0.47) FPR1FPR2POLBHTTKDM4E

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed