SCHEMBL30960477

SCHEMBL30960477

C=C(NC(C)=O)c1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.41
BDKRB1 P46663 1/20 0.39
MT-CO1 P00395 1/20 0.39
MT-CO2 P00403 1/20 0.39
EDNRA P25101 1/20 0.39
OPRM1 P35372 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR1 P30556 1/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1F P30939 1/20 0.36
APLNR P35414 1/20 0.35
P4HA1 P13674 1/20 0.34

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
SCHEMBL589521 1.00 P4HTM (0.41) P4HTMBDKRB1MT-CO1MT-CO2EDNRA
SCHEMBL588884 0.80 ALDH1A1 (0.58) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL4783342 0.78 BDKRB1 (0.38) P4HTMBDKRB1MT-CO1MT-CO2EDNRA
SCHEMBL219948 0.77 AGBL2 (0.31) ALDH1A1
SCHEMBL13876346 0.76 MT-CO1 (0.39) P4HTMBDKRB1MT-CO1MT-CO2EDNRA
SCHEMBL589084 0.76 ALDH1A1 (0.47) P4HTMBDKRB1MT-CO1MT-CO2EDNRA
SCHEMBL110129 0.74 P4HTM (0.59) P4HTMALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL30449388 0.74 P4HTM (0.59) P4HTMALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL27568390 0.73 CES2 (0.46) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29852031 0.72 ALDH1A1 (0.58) P4HTMNPC1RAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118448633-B Preparation method of lithium cobalt oxide positive plate for lithium ion battery 南京寒锐新材料有限公司 2024-12-03 CN disclosed
CN-118448633-A Preparation method of lithium cobalt oxide positive plate for lithium ion battery 南京寒锐新材料有限公司 2024-08-06 CN disclosed