SCHEMBL28114670

SCHEMBL28114670

CC(Br)(COCc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
PARP10 Q53GL7 1/20 0.41
SLC1A1 P43005 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TACR1 P25103 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPRB P23467 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL4040412 0.86 KDM4E (0.54) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL28158564 0.82 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL31397663 0.81 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL15012155 0.79 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL15012407 0.79 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL1691754 0.79 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL6682349 0.78 LMNA (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL13557891 0.78 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1TACR1
SCHEMBL95926 0.78 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1TACR1
SCHEMBL7936507 0.78 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106336384-B A kind of synthetic method forming oxazolidine -4- ketone 杭州师范大学 2019-05-14 CN claimed
CN-106336384-A Synthetic method for forming oxazolidine-4-ketone 杭州师范大学 2017-01-18 CN claimed
CN-106336384-B A kind of synthetic method forming oxazolidine -4- ketone 杭州师范大学 2019-05-14 CN disclosed
CN-106336384-A Synthetic method for forming oxazolidine-4-ketone 杭州师范大学 2017-01-18 CN disclosed