SCHEMBL7455166

SCHEMBL7455166

CC(C)CCn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 2/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.59
PMP22 Q01453 1/20 0.59
PDE4A P27815 3/20 0.55
ADORA2A P29274 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.48
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48

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
SCHEMBL11406664 0.87 MAPK1 (0.60) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL1495090 0.84 PDE4A (0.76) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL9682194 0.83 MAPK1 (0.60) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL17682216 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL381684 0.82 PDE4A (0.71) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL4566277 0.81 MEN1 (0.77) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL16675435 0.81 MAPK1 (0.64) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL10955005 0.81 MAPK1 (0.64) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL25286006 0.80 ALDH1A1 (0.71) SMN1; SMN2MAPK1POLBKDM4ELMNA
SCHEMBL7454900 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 EP disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
CN-1158855-A Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals HOECHST AG (DE) 1997-09-10 CN disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed