SCHEMBL28487408

SCHEMBL28487408

c1ccc(C2(OOC3(c4ccccc4)NO3)NO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
HTR2A P28223 2/20 0.31
CACNA1F O60840 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL15524924 0.72 OPRM1 (0.38) OPRM1HTR2ACACNA1FALDH1A1MAPT
SCHEMBL1260071 0.70 OPRM1 (0.37) OPRM1HTR2ACACNA1FALDH1A1MAPT
SCHEMBL1148182 0.67 MMP2 (0.41) OPRM1ALDH1A1CYP2C9BLMPMP22
SCHEMBL93412 0.65 MEN1 (0.35) OPRM1OPRK1OPRL1
SCHEMBL1698175 0.64 CA1 (0.37) OPRM1OPRK1OPRL1
SCHEMBL74066 0.64 OPRM1 (0.36) OPRM1ALDH1A1CYP2C9OPRK1OPRL1
SCHEMBL5028816 0.62 GAA (0.39) OPRM1ALDH1A1MAPTOPRL1
SCHEMBL727037 0.62 MEN1 (0.35) OPRM1ALDH1A1MMP2MMP9OPRK1
SCHEMBL7132657 0.62 LMNA (0.33) OPRM1CYP2C9
SCHEMBL19915014 0.62 OPRM1 (0.34) OPRM1ALDH1A1KCNH2MMP2MMP9

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-111976171-B In-situ polymerization carbon fiber reinforced polymethyl methacrylate composite material forming method 中国航发北京航空材料研究院 2022-04-19 CN disclosed
CN-113979988-A Method for preparing vinylene carbonate 浙大宁波理工学院 2022-01-28 CN disclosed
CN-111976171-A In-situ polymerization carbon fiber reinforced polymethyl methacrylate composite material forming method 中国航发北京航空材料研究院 2020-11-24 CN disclosed