SCHEMBL27735896

SCHEMBL27735896

NC(=O)c1cccc(F)c1Cn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.50
CYP19A1 P11511 6/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
CA5A P35218 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42

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
SCHEMBL9748147 0.76 CYP11B1 (0.53) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL19541946 0.76 CYP11B1 (0.51) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL10770126 0.74 TBXAS1 (0.43) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11228752 0.71 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2
SCHEMBL11957613 0.71 CYP19A1 (0.60) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL27756491 0.71 MAPK8 (0.48) CA5ACYP3A4MAPT
SCHEMBL27722171 0.71 MAPK8 (0.48) CA5AMAPT
SCHEMBL7573772 0.70 TBXAS1 (0.46) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL25322490 0.70 MAPK8 (0.47) CA5ACYP3A4MAPT
SCHEMBL30499962 0.70 MAPK8 (0.47) CA5ACYP3A4MAPT

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
CN-101410389-A Organic compounds NOVARTIS AG (CH) 2009-04-15 CN disclosed