SCHEMBL7667706

SCHEMBL7667706

COC(=O)c1cc(C(N)C(Cn2ccnc2)c2ccc(F)cc2)ccc1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
PTGS2 P35354 1/20 0.39
AHR P35869 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL7667709 0.83 PTGS2 (0.39) TBXAS1KDM4EPOLBPTGS2AHR
SCHEMBL7667718 0.82 CYP19A1 (0.40) TBXAS1KDM4EPOLBPTGS2AHR
SCHEMBL7657854 0.74 FNTA (0.49) NPSR1
SCHEMBL7664949 0.73 PTGS2 (0.40) POLBPTGS2CYP19A1CYP11B1CYP11B2
SCHEMBL7562813 0.72 MEN1 (0.50) KDM4EGAANPC1
SCHEMBL7664955 0.72 CYP19A1 (0.45) TBXAS1POLBCYP19A1CYP11B1CYP11B2
SCHEMBL7563958 0.70 TSHR (0.49) KDM4EGAANPC1
SCHEMBL7567992 0.70 MAPT (0.47) KDM4ENPSR1GAA
SCHEMBL7568524 0.70 PTGS2 (0.50) TBXAS1PTGS2NPSR1CYP19A1GAA
SCHEMBL9368529 0.69 CYP19A1 (0.52) TBXAS1KDM4EPOLBPTGS2CYP26A1

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-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US disclosed