SCHEMBL28620916

SCHEMBL28620916

COC(=O)C(C#N)=CN(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.65
RAB9A P51151 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.45
APP P05067 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1911789 1.00 CYP2C9 (0.65) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL13123104 1.00 CYP2C9 (0.65) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL1644889 0.83 CYP2C9 (0.47) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL1644890 0.83 CYP2C9 (0.47) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL9870540 0.83 CYP2C9 (0.47) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL18655709 0.80
SCHEMBL7474650 0.80
SCHEMBL7618854 0.80
SCHEMBL4739623 0.79 CYP2C9 (0.59) CYP2C9RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL8952107 0.79 CYP2C9 (1.00) CYP2C9RAB9AKMT2ASMN1; SMN2ALDH1A1

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-118076133-A Composite material, composition, preparation method of composite material, light-emitting device and display device TCL科技集团股份有限公司 2024-05-24 CN disclosed
CN-115215767-B Process for preparing 2-cyano-3-ethoxyacrylic acid ethyl ester derivative 帕潘纳(北京)科技有限公司 2023-09-12 CN disclosed
CN-115215767-A Process for preparing 2-cyano-3-ethoxy ethyl acrylate derivatives 帕潘纳(北京)科技有限公司 2022-10-21 CN disclosed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN disclosed