SCHEMBL11545651

SCHEMBL11545651

Cn1cc(Cc2ccccc2)c(=O)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
ALDH1A1 P00352 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.44
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
TDP2 O95551 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL19873809 0.79 PDE3B (0.46) PDE3BPDE3AALDH1A1RXFP1LMNA
SCHEMBL12838844 0.75 KMT2A (0.40) RXFP1SMN1; SMN2LMNAHTT
SCHEMBL10794183 0.74 KMT2A (0.39) ALDH1A1RXFP1SMN1; SMN2LMNAHTT
SCHEMBL23233751 0.73 BRD4 (0.48) PDE3BPDE3AALDH1A1BRD4KDM4E
SCHEMBL23233750 0.72 BRD4 (0.50) PDE3BPDE3ABRD4
SCHEMBL11494803 0.71 PDE3B (0.43) PDE3BPDE3AALDH1A1BRD4KDM4E
SCHEMBL11831603 0.70 PDE3B (0.40) PDE3BPDE3AALDH1A1RXFP1LMNA
SCHEMBL22588426 0.70 CTRC (0.41) PDE3BPDE3ABRD4KDM4E
SCHEMBL12775686 0.69 KMT2A (0.39) ALDH1A1RXFP1SMN1; SMN2LMNAHTT
SCHEMBL11550337 0.69 BRD4 (0.59) ALDH1A1SMN1; SMN2LMNABRD4KDM4E

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
US-4171429-A Pyrimidine to pyrimidine transformation process RESEARCH CORPORATION (US) 1979-10-16 US disclosed