SCHEMBL28630801

SCHEMBL28630801

CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
NT5E P21589 1/20 0.39
TSHR P16473 1/20 0.38
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
TACR2 P21452 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
CYP2C19 P33261 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
SCHEMBL14363005 1.00 CYP2D6 (0.41) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL14877068 0.97 LMNA (0.45) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL29143071 0.91 NT5E (0.43) CYP2D6ALDH1A1MAPK1KMT2APOLB
SCHEMBL19714346 0.89 LMNA (0.50) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL14221777 0.89 LMNA (0.50) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL18346652 0.88 CYP2D6 (0.36) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL16656541 0.88 CYP2D6 (0.36) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL20626567 0.87 PAX8 (0.39) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL18914930 0.86 NT5E (0.39) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL18346604 0.86 CYP2D6 (0.35) CYP2D6ALDH1A1MAPK1LMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164660-A Immobilized biological entities 卡梅达股份公司 2021-07-23 CN disclosed