SCHEMBL5082597

SCHEMBL5082597

CC(=O)c1cccc(CC=Nc2c(-c3ccccc3)cccc2-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
SHMT1 P34896 1/20 0.33

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
SCHEMBL21113697 0.83 BRD4 (0.40) BRD4ALDH1A1KDM4ELMNANPSR1
SCHEMBL21113703 0.82 BRD4 (0.34) BRD4ALDH1A1NPSR1CYP1A2IRAK4
SCHEMBL7079801 0.81 BRD4 (0.33) BRD4ALDH1A1SMN1; SMN2NPSR1IRAK4
SCHEMBL21113702 0.79 ALDH1A1 (0.34) BRD4ALDH1A1NPSR1MAPTCYP1A2
SCHEMBL6714487 0.79 BRD4 (0.35) BRD4ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL21114208 0.77 BRD4 (0.35) BRD4ALDH1A1ATMKDM4ELMNA
SCHEMBL7075027 0.76 DHODH (0.41) BRD4ALDH1A1ATMKDM4ELMNA
SCHEMBL31252498 0.76 DHODH (0.41) BRD4ALDH1A1ATMKDM4ELMNA
SCHEMBL21113708 0.76 BRD4 (0.35) BRD4ALDH1A1NPSR1CYP1A2IRAK4
SCHEMBL21113679 0.75 BRD4 (0.45) BRD4ALDH1A1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684901-A4 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY (US) 2008-09-03 EP disclosed
EP-1684901-A1 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY, INC. (US) 2006-08-02 EP disclosed
WO-2005042150-A1 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY, INC. (US) 2005-05-12 WO disclosed