SCHEMBL29137633

SCHEMBL29137633

CCOC(=O)CN1C=CN(C)C1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.33

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
Bromide SCHEMBL2761202 0.92 GSK3A (0.42) GSK3AGSK3BMAPK1ALDH1A1PIN1
Hydrochloric Acid SCHEMBL6074598 0.81 GSK3A (0.47) GSK3AGSK3BMAPK1ALDH1A1PIN1
SCHEMBL2292195 0.80 ALDH1A1 (0.41) GSK3AGSK3BALDH1A1TSHR
Bromide SCHEMBL2760616 0.79 ALDH1A1 (0.43) GSK3AGSK3BMAPK1ALDH1A1NPSR1
Bromide SCHEMBL2296153 0.79 ALDH1A1 (0.40) GSK3AGSK3BALDH1A1TSHR
SCHEMBL27700495 0.78
SCHEMBL2288344 0.78 MEN1 (0.44) MAPK1ALDH1A1GAAKMT2ALMNA
Bromide SCHEMBL2291719 0.78 ALDH1A1 (0.39) GSK3AGSK3BALDH1A1TSHR
Bromide SCHEMBL2296147 0.77 MEN1 (0.43) MAPK1ALDH1A1GAAKMT2ALMNA
SCHEMBL2782995 0.77 NAAA (0.46) MAPK1ALDH1A1NPSR1CYP3A4KMT2A

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-117024475-A High-density diethyl aluminum phosphinate, preparation method thereof and obtained product 菏泽奕普新材料有限公司 2023-11-10 CN claimed
CN-117024475-A High-density diethyl aluminum phosphinate, preparation method thereof and obtained product 菏泽奕普新材料有限公司 2023-11-10 CN disclosed