SCHEMBL28484688

SCHEMBL28484688

CCCSc1nc(Cl)c2[nH]nnc2n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28497974 0.81 ALPL (0.33) ALPLALDH1A1HPGDUSP2LMNA
SCHEMBL7592335 0.75 ALDH1A1 (0.36) ALPLALDH1A1HPGDUSP2LMNA
SCHEMBL20668745 0.72 ALDH1A1 (0.42) ALPLALDH1A1HPGDLMNAGAA
SCHEMBL28184067 0.71 GAA (0.31) ALPLGAA
SCHEMBL16019755 0.70 ALDH1A1 (0.41) ALPLALDH1A1HPGDLMNAGAA
SCHEMBL595428 0.69 ALDH1A1 (0.48) ALPLALDH1A1HPGDLMNAGAA
SCHEMBL16019754 0.66 ALDH1A1 (0.45) ALPLALDH1A1HPGDLMNAGAA
SCHEMBL11354287 0.66 ALDH1A1 (0.44) ALPLALDH1A1HPGDLMNAGAA
SCHEMBL13464342 0.65 ALDH1A1 (0.44) ALDH1A1HPGDLMNAGAAKDM4E
SCHEMBL29388389 0.65 ALDH1A1 (0.44) ALDH1A1HPGDLMNAGAAKDM4E

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-111978328-B Synthesis method of ticagrelor 南京一心和医药科技有限公司 2022-06-10 CN disclosed
CN-111978327-B Preparation method of ticagrelor 南京一心和医药科技有限公司 2022-06-10 CN disclosed
CN-111978328-A Synthesis method of ticagrelor 南京一心和医药科技有限公司 2020-11-24 CN disclosed
CN-111978327-A Preparation method of ticagrelor 南京一心和医药科技有限公司 2020-11-24 CN disclosed