SCHEMBL27369811

SCHEMBL27369811

COC(=O)c1c(F)c(OC)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL27317197 0.94 SMN1; SMN2 (0.63) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL27576427 0.87 SMN1; SMN2 (0.63) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL1202914 0.85 SMN1; SMN2 (0.47) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL20396247 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL6832945 0.80 SMN1; SMN2 (0.46) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL8875531 0.79 SMN1; SMN2 (0.82) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL15214262 0.79 SMN1; SMN2 (0.60) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL27287426 0.79 SMN1; SMN2 (0.47) SMN1; SMN2PKMPOLBTDP1KDM4E
SCHEMBL8593844 0.79 TSHR (0.46) SMN1; SMN2POLBKDM4ETSHRMAPK1
SCHEMBL7970186 0.77 SMN1; SMN2 (0.43) SMN1; SMN2PKMPOLBTDP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064955-C Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 2001-04-25 CN disclosed
CN-1143632-A Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 1997-02-26 CN disclosed