SCHEMBL9388459

SCHEMBL9388459

O=[N+]([O-])c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
CYP19A1 P11511 9/20 0.58
CYP11B1 P15538 2/20 0.58
CYP11B2 P19099 2/20 0.58
PTGES O14684 1/20 0.56
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
PPIA P62937 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8077523 0.91 CYP19A1 (0.55) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8144438 0.90 MEN1 (0.55) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL21071296 0.89 HTR1A (0.55) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3902986 0.87 CYP19A1 (0.50) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL2858537 0.87 MEN1 (0.55) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL9386456 0.86 CYP19A1 (0.59) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL371728 0.84 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL31418722 0.84 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8808397 0.83 MAPT (0.60) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL2814768 0.83 MAPT (0.50) MEN1KMT2AMAPTCYP19A1CYP11B1

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
JP-6016597-A None JP disclosed
JP-H0616597-A DIPHENOXYBENZENE DERIVATIVE AND ITS PRODUCTION FUJI KAGAKU KOGYO KK 1994-01-25 JP disclosed