SCHEMBL28039623

SCHEMBL28039623

C1=NCCC=C1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 5/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
HTT P42858 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL16501134 0.68 LMNA (0.38) ADRA2AADRA2BADRA2CLMNAPOLB
SCHEMBL29293394 0.66 POLB (0.33) ADRA2AADRA2BADRA2CLMNAPOLB
SCHEMBL21850711 0.64 MAPT (0.38) LMNAPOLBKDM4EGAAKMT2A
SCHEMBL16079591 0.64 LMNA (0.34) LMNAPOLBKDM4EKMT2AMAPT
SCHEMBL16079593 0.64 LMNA (0.34) LMNAPOLBKDM4EGAAKMT2A
SCHEMBL5030624 0.64 GAA (0.38) ADRA2AADRA2BADRA2CLMNAPOLB
SCHEMBL14087874 0.62 MAPT (0.34) LMNAKDM4EGAAKMT2AMAPT
SCHEMBL14415427 0.61 LMNA (0.35) LMNAPOLBKDM4EGAAKMT2A
SCHEMBL27793746 0.61 LMNA (0.43) ADRA2AADRA2BADRA2CLMNAPOLB
SCHEMBL6276533 0.59 LMNA (0.36) ADRA2AADRA2BADRA2CLMNAPOLB

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-105085515-B Hydrazide kind compound as coagulation factor xa inhibitors 华北制药股份有限公司 2019-02-01 CN claimed
CN-105085515-B Hydrazide kind compound as coagulation factor xa inhibitors 华北制药股份有限公司 2019-02-01 CN disclosed
CN-105026392-B 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof 四川海思科制药有限公司 2017-05-10 CN disclosed
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed