SCHEMBL28896299

SCHEMBL28896299

CCOC(=O)c1[nH]ccc1NCCOC1(C(F)(F)F)CCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
NUDT1 P36639 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.31
ADORA2B P29275 2/20 0.31
POLB P06746 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
SCHEMBL28896264 0.98 PTGER4 (0.34) PTGER4CNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28896591 0.97 ALDH1A1 (0.34) PTGER4CNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28896764 0.89 PTGER4 (0.34) PTGER4CNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28896317 0.88 ALDH1A1 (0.33) PTGER4CNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28896320 0.83 JAK1 (0.37) MAPTKMT2ANPSR1MEN1
SCHEMBL28896250 0.78 PTGER4 (0.38) PTGER4ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL28896378 0.76 ALDH1A1 (0.40) PTGER4CNR2ALDH1A1LMNARAB9A
SCHEMBL28896547 0.75 CNR2 (0.38) PTGER4CNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL1536739 0.74 TSHR (0.45) PTGER4ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL28896253 0.73 NUDT1 (0.38) PTGER4ALDH1A1SMN1; SMN2LMNARAB9A

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-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed