SCHEMBL10963455

SCHEMBL10963455

CC(COc1ccc(Cl)cc1)C(=O)OCC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ RXFP1 Q9HBX9 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ LDHA P00338 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL10963461 0.84 LMNA (0.58) LMNASMN1; SMN2POLBKDM4EMAPK1
SCHEMBL29478461 0.80 LMNA (0.58) LMNASMN1; SMN2POLBKDM4EMAPK1
SCHEMBL10967060 0.76 RXFP1 (0.54) LMNASMN1; SMN2POLBKDM4ERXFP1
Hydrochloric Acid SCHEMBL10554676 0.74 SMN1; SMN2 (0.71) LMNASMN1; SMN2POLBKDM4ERXFP1
SCHEMBL10768492 0.74 LMNA (0.78) LMNASMN1; SMN2POLBKDM4ERXFP1
SCHEMBL11883059 0.73 LMNA (0.52) LMNASMN1; SMN2POLBKDM4EMAPK1
SCHEMBL683975 0.73 LMNA (0.65) LMNASMN1; SMN2POLBKDM4EMAPK1
SCHEMBL10970100 0.73 LMNA (0.64) LMNASMN1; SMN2POLBKDM4ERXFP1
SCHEMBL10063431 0.73 LMNA (0.80) LMNASMN1; SMN2POLBKDM4ERXFP1
Dyphylline SCHEMBL1816552 0.73 LMNA (1.00) LMNASMN1; SMN2POLBKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049494-B1 ESTERS OF 7-HYDROXYALKYL-1,3-DIMETHYL XANTHINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS LIPID DIMINISHERS King Consult GmbH (DE) 1985-04-17 — — EP claimed
EP-0049494-B1 ESTERS OF 7-HYDROXYALKYL-1,3-DIMETHYL XANTHINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS LIPID DIMINISHERS King Consult GmbH (DE) 1985-04-17 — — EP disclosed
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