SCHEMBL28292318

SCHEMBL28292318

NNc1cc(F)cc(OC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KIF11 P52732 1/20 0.34
FAAH O00519 1/20 0.32
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL442239 0.82 MEN1 (0.52) MEN1KMT2ACYP4F2CYP4A11CA12
Oxalic Acid SCHEMBL20984629 0.76 RAB9A (0.41) MEN1KMT2AALDH1A1
SCHEMBL27574759 0.74 MEN1 (0.44) MEN1KMT2ACYP4F2CYP4A11KIF11
SCHEMBL29177324 0.74 MEN1 (0.44) MEN1KMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL27560290 0.74 MEN1 (0.44) MEN1KMT2ACYP4F2CYP4A11KIF11
Phosphoric Acid SCHEMBL20984697 0.72 RAB9A (0.38) MEN1KMT2AALDH1A1CA1CA2
Sulfuric Acid SCHEMBL20984107 0.72 FFAR4 (0.38) MEN1KMT2ACA12CA1CA2
Bromide SCHEMBL20984373 0.72 NQO2 (0.39) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL20984864 0.72 NQO2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL5245392 0.71 KIF11 (0.53) MEN1KMT2ACYP4F2CYP4A11KIF11

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-109651376-A A kind of synthetic method of azatropylidene simultaneously [5,4,3-cd] indoles -6- ketone compound 江苏创诺制药有限公司 2019-04-19 CN claimed
CN-109651376-A A kind of synthetic method of azatropylidene simultaneously [5,4,3-cd] indoles -6- ketone compound 江苏创诺制药有限公司 2019-04-19 CN disclosed