SCHEMBL7772045

SCHEMBL7772045

COC(=O)Cn1c(C)cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 3/20 0.38
NPY1R P25929 1/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KIF18A Q8NI77 1/20 0.36

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
SCHEMBL8123028 0.89 F2 (0.44) F2PRSS1SMN1; SMN2EGFRERBB2
SCHEMBL7767880 0.82 F2 (0.61) F2PRSS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7771927 0.78 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL7773563 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1KMT2ALMNA
Propane SCHEMBL8178139 0.78 KIF18A (0.41) F2PRSS1SMN1; SMN2EGFRERBB2
SCHEMBL7772059 0.77 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL7773566 0.77 MAPT (0.44) SMN1; SMN2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL7772077 0.74 MAPT (0.37) SMN1; SMN2KDM4EALDH1A1KMT2ALMNA
SCHEMBL7772056 0.73 PDE4B (0.41) SMN1; SMN2KDM4EALDH1A1KMT2APOLB
SCHEMBL7773817 0.72 F2 (0.45) F2PRSS1KDM4EALDH1A1MAPT

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