SCHEMBL10646649

SCHEMBL10646649

CON=C(COc1cc([N+](=O)[O-])c(F)cc1Cl)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL29195279 0.82 LMNA (0.58) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL10647014 0.81 LMNA (0.42) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL27346707 0.77 ALDH1A1 (0.41) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL9048525 0.76 MAPT (0.39) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL18342871 0.75 MAPT (0.52) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL8877173 0.74 S1PR4 (0.39) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL2030437 0.73 CUL4A (0.42) MAPTLMNANPC1KMT2AMEN1
SCHEMBL30127220 0.72 ALDH1A1 (0.47) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL193774 0.72 ALDH1A1 (0.47) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL9445017 0.72 S1PR4 (0.45) MAPTLMNANPC1RAB9AKMT2A

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
EP-0288789-A1 N-arylpyrroline-2,5-diones BAYER AG (DE) 1988-11-02 EP disclosed