SCHEMBL28029676

SCHEMBL28029676

Nc1ccc(NC(=O)COCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
HPGD P15428 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NAMPT P43490 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL27967069 0.83 ALDH1A1 (0.55) MAPTRAB9ALMNAHPGDSMN1; SMN2
SCHEMBL2945883 0.80 KMT2A (0.53) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL2946374 0.80 MEN1 (0.64) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL3096926 0.80 NR1H4 (0.48) MEN1KMT2ALMNAPOLBHPGD
SCHEMBL11727915 0.80 ALDH1A1 (0.63) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL2941803 0.79 MAPT (0.56) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL2941168 0.79 ALDH1A1 (0.57) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL11417562 0.78 MAPT (0.55) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL1707504 0.77 RAB9A (0.63) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL4208672 0.77 RAB9A (0.68) MEN1KMT2AMAPTRAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974059-B A kind of Rivaroxaban intermediate and preparation method thereof 北大方正集团有限公司 2016-11-16 CN disclosed
CN-104974105-A Method of preparing 4-(4-aminophenyl)-3-morpholinone UNIV PEKING FOUNDER GROUP CO 2015-10-14 CN disclosed
CN-104974149-A Preparation method of rivaroxaban UNIV PEKING FOUNDER GROUP CO 2015-10-14 CN disclosed
CN-104974148-A Method of synthesizing 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholine-3-one UNIV PEKING FOUNDER GROUP CO 2015-10-14 CN disclosed
CN-104974059-A Rivaroxaban intermediate and preparation method thereof UNIV PEKING FOUNDER GROUP CO 2015-10-14 CN disclosed