SCHEMBL22569916

SCHEMBL22569916

C[C@H]1C[C@@H](COCc2ccccc2)OC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
PTPN1 P18031 2/20 0.46
CDC25B P30305 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.40
AKT1 P31749 1/20 0.40
NAAA Q02083 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15084444 1.00 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1CYP3A4
SCHEMBL18236136 0.86 LMNA (0.44) LMNAPTPN1CDC25BCYP3A4TSHR
SCHEMBL19979028 0.85 CYP3A4 (0.40) LMNACYP3A4TSHRMAPT
SCHEMBL22569893 0.82 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL22579751 0.82 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL22579610 0.82 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL20404071 0.82 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL435272 0.82 LMNA (0.56) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL524084 0.81 LMNA (0.58) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL28102964 0.81 LMNA (0.58) LMNAPTPN1CDC25BL3MBTL1TSHR

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
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed