SCHEMBL4348692

SCHEMBL4348692

O=c1cc[nH]c(=O)n1CCn1c(=O)cc[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
BRD4 O60885 1/20 0.35
TAF1 P21675 1/20 0.35
BRPF1 P55201 1/20 0.35
CREBBP Q92793 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
TYMP P19971 1/20 0.33
DAO P14920 1/20 0.33
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL2983409 0.87 ADRA1D (0.34) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL3235865 0.87 ADRA1D (0.37) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL28299867 0.87 ADRA1D (0.34) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL10428820 0.87 ADRA1D (0.34) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL2930015 0.87 HASPIN (0.35) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL9118472 0.87 KDM4E (0.39)
SCHEMBL17371770 0.84 HASPIN (0.43) ADRA1DADRA1AADRA1BTYMP
SCHEMBL26787539 0.84 ALDH1A1 (0.44) ADRA1DADRA1AADRA1BTYMPMEN1
SCHEMBL30178727 0.82 ADRA1D (0.33) ADRA1DADRA1AADRA1BBRD4TAF1
SCHEMBL1923337 0.82 CYP1A2 (0.44) BRD4TAF1BRPF1CREBBPCECR2

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-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO claimed
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO disclosed