SCHEMBL28637073

SCHEMBL28637073

COC[C@H]1NCCNC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.32

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
SCHEMBL1385739 1.00 LMNA (0.44) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL1385740 1.00 LMNA (0.44) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL345484 0.79 SMN1; SMN2 (0.40) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL343573 0.79 SMN1; SMN2 (0.40) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL26724613 0.79 SMN1; SMN2 (0.40) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL27572840 0.78 GLA (0.56) LMNAKDM4EHTTSMN1; SMN2TSHR
SCHEMBL1344065 0.77
SCHEMBL10022729 0.77
SCHEMBL4399382 0.77
SCHEMBL12552290 0.76

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-113527307-B Triazolyl-containing benzocyclic derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-11 CN disclosed
CN-113549074-A Triazole group-containing fused ring derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-10-26 CN disclosed
CN-113527307-A Triazole group-containing fused ring derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-10-22 CN disclosed