SCHEMBL28096013

SCHEMBL28096013

NCc1ccc(OC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ST14 Q9Y5Y6 3/20 0.48
KIF11 P52732 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
ABAT P80404 1/20 0.44
TPSAB1 Q15661 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
F10 P00742 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 3/20 0.41
ELANE P08246 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL9542970 0.84 ELANE (0.57) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL6284986 0.83 KMT2A (0.64) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL13650268 0.83 MEN1 (0.48) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL5562888 0.81 MEN1 (0.47) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL1835776 0.81 RAB9A (0.53) MEN1KMT2AKIF11ELANE
SCHEMBL3809052 0.81 LMNA (0.57) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL23174993 0.81 MEN1 (0.47) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL11375700 0.79 PRSS1 (0.56) PRSS1MEN1KMT2AKIF11
Hydrochloric Acid SCHEMBL11168858 0.79 LMNA (0.55) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL21464418 0.79 SLC6A4 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN claimed
CN-102596985-B 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases 拜耳知识产权有限责任公司 2017-05-24 CN disclosed
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN disclosed