SCHEMBL28667396

SCHEMBL28667396

C=CCNC(=S)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.63
ALDH1A1 P00352 7/20 0.60
MAPT P10636 7/20 0.60
EPHX1 P07099 2/20 0.58
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.53

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
SCHEMBL14386328 0.83 ALDH1A1 (0.76) GAAALDH1A1MAPTEPHX1RAB9A
SCHEMBL14385655 0.82 GAA (0.72) GAAALDH1A1MAPTEPHX1RAB9A
SCHEMBL28667400 0.79 ALDH1A1 (0.65) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL14385666 0.78 EPHX1 (0.69) GAAALDH1A1MAPTEPHX1RAB9A
SCHEMBL27943563 0.75 GAA (0.62) GAAALDH1A1MAPTEPHX1RAB9A
SCHEMBL14385650 0.74 ALDH1A1 (0.64) GAAALDH1A1MAPTEPHX1RAB9A
SCHEMBL6832833 0.74 GAA (0.65) GAAALDH1A1MAPTEPHX1RAB9A
Morpholine SCHEMBL28680895 0.74 ALDH1A1 (0.52) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL2236429 0.74 GAA (0.66) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL5610888 0.73 ALDH1A1 (0.60) GAAALDH1A1MAPTEPHX1RAB9A

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-113831559-B Method for improving interfacial adhesion performance of epoxy resin matrix composite material 浙江省开化七一电力器材有限责任公司 2023-11-21 CN claimed
CN-113831559-A Method for improving interfacial adhesion performance of epoxy resin-based composite material 浙江省开化七一电力器材有限责任公司 2021-12-24 CN claimed
CN-113831559-B Method for improving interfacial adhesion performance of epoxy resin matrix composite material 浙江省开化七一电力器材有限责任公司 2023-11-21 CN disclosed
CN-113831559-A Method for improving interfacial adhesion performance of epoxy resin-based composite material 浙江省开化七一电力器材有限责任公司 2021-12-24 CN disclosed