SCHEMBL7998028

SCHEMBL7998028

Cc1c(Cn2ccnc2)cccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.48
BRD4 O60885 2/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
FTO Q9C0B1 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP17A1 P05093 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AHR P35869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AGTR2 P50052 1/20 0.42
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
P2RX7 Q99572 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL7994363 0.83 TBXAS1 (0.54) TBXAS1BRD4CYP11B1CYP11B2FTO
SCHEMBL13604557 0.81 KDM4E (0.45) TBXAS1BRD4CYP19A1CYP17A1KDM4E
SCHEMBL8001577 0.79 BRD4 (0.47) TBXAS1BRD4CYP11B1CYP11B2CYP19A1
SCHEMBL3440035 0.77 ALDH1A1 (0.43) BRD4NPSR1PTGDR2P2RX7BRD9
SCHEMBL3439958 0.77 ALDH1A1 (0.44) BRD4POLBP2RX7BRD9
SCHEMBL4486676 0.76 AGTR2 (0.52) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL3439960 0.76 ALDH1A1 (0.43) BRD4POLBP2RX7BRD9
SCHEMBL7997538 0.76 ALDH1A1 (0.47) BRD4POLBP2RX7BRD9
SCHEMBL3439997 0.75 CACNA1G (0.41) BRD4KDM4ENPSR1P2RX7BRD9
SCHEMBL7998218 0.75 SLC29A1 (0.46) BRD4P2RX7BRD9

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed