SCHEMBL22579751

SCHEMBL22579751

O=C1OC(COCc2ccccc2)CC1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
PTPN1 P18031 2/20 0.43
CDC25B P30305 1/20 0.43
TSHR P16473 1/20 0.40
AKT1 P31749 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
DRD1 P21728 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL22579610 1.00 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL22569893 1.00 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL20404071 1.00 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL22569916 0.82 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL435272 0.82 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL15084444 0.82 LMNA (0.56) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL524084 0.81 LMNA (0.58) LMNAPTPN1CDC25BTSHRAKT1
SCHEMBL16010060 0.78 LMNA (0.51) LMNAPTPN1CDC25BAKT1TAAR1
SCHEMBL21697602 0.78 LMNA (0.51) LMNAPTPN1CDC25BAKT1TAAR1
SCHEMBL21218201 0.78 LMNA (0.51) LMNAPTPN1CDC25BAKT1TAAR1

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-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed