SCHEMBL5864704

SCHEMBL5864704

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(C)(O)c3ccccc3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
PDE2A O00408 2/20 0.40
SLC16A1 P53985 12/20 0.39
CYP2C9 P11712 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
CAMK2B Q13554 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5865248 0.76 PDE1A (0.41) SMN1; SMN2LMNASTAT3HTTPDE1A
SCHEMBL5864669 0.75 PDE1B (0.47) SMN1; SMN2LMNAPDE1APDE1BPDE1C
SCHEMBL19759435 0.73 PDE1A (0.46) SMN1; SMN2LMNAHTTPDE1APDE1B
SCHEMBL6345596 0.72 PDE1A (0.43) SMN1; SMN2LMNAHTTPDE1APDE1B
SCHEMBL8162346 0.72 SLC16A1 (0.44) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864728 0.72 POLB (0.43) SMN1; SMN2LMNASLC16A1CYP2C9
SCHEMBL7006341 0.71 PDE1A (0.43) SMN1; SMN2LMNAHTTPDE1APDE1B
SCHEMBL7857649 0.71 PDE1A (0.43) SMN1; SMN2LMNAHTTPDE1APDE1B
SCHEMBL5864909 0.71 SMN1; SMN2 (0.39) SMN1; SMN2LMNASTAT3HTTPDE1A
SCHEMBL5865280 0.71 ADORA2A (0.44) SMN1; SMN2LMNASLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US claimed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US claimed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP claimed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed