SCHEMBL28510066

SCHEMBL28510066

CCOCOC(=O)CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TRPA1 O75762 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL70685 0.84
SCHEMBL2856228 0.83 ALDH1A1 (0.52) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL28807956 0.82 MGAM (0.50) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL3370470 0.82
Ammonia Solution, Strong SCHEMBL8823685 0.82
Hydrochloric Acid SCHEMBL25408509 0.82
SCHEMBL6750259 0.82
SCHEMBL3783247 0.82 ALDH1A1 (0.50) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL28716408 0.82 ALDH1A1 (0.50) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL27496508 0.81 MCL1 (0.46) MCL1KMT2AMEN1ALDH1A1TSHR

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-112062692-A Preparation method of ethyl ethoxymethylene cyanoacetate 太仓市茜泾化工有限公司 2020-12-11 CN claimed
CN-114369086-B ortho-C-H cyanation of heteroaromatics using Azobisisobutyronitrile (AIBN) as the nitrile source copper 温州大学 2023-05-09 CN disclosed
CN-113416169-B Process for producing cyanuric chloride 营创三征(营口)精细化工有限公司 2022-07-26 CN disclosed