SCHEMBL6693007

SCHEMBL6693007

CC(C)NCc1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 2/20 0.55
EGLN1 Q9GZT9 2/20 0.55
BRD4 O60885 2/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL19421536 0.75 MEN1 (0.40) VEGFAEGLN1ALDH1A1KDM4EMAPT
SCHEMBL15799041 0.75 BRD4 (0.50) VEGFAEGLN1BRD4BRD2BRD3
SCHEMBL3181686 0.73 BRD4 (0.56) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL15803919 0.73 HDAC10 (0.51) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL12376651 0.72 BRD4 (0.73) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL16509736 0.72 BRD4 (0.56) VEGFAEGLN1BRD4BRD2BRD3
SCHEMBL271606 0.71 EGLN1 (1.00) VEGFAEGLN1KDM4EPOLBSMN1; SMN2
SCHEMBL272200 0.71 EGLN1 (1.00) VEGFAEGLN1KDM4EPOLBSMN1; SMN2
SCHEMBL27766860 0.70 ALDH1A1 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL3272017 0.70 BCHE (0.55) ALDH1A1KDM4ELMNAPOLBRAB9A

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-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed