SCHEMBL24704167

SCHEMBL24704167

N#C/C=C(\c1ccccc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.56
PDE4B Q07343 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
CYP19A1 P11511 2/20 0.53
CYP11B2 P19099 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
HIF1A Q16665 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
SCHEMBL127735 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL127734 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL24704153 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL247446 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP19A1
Benzene SCHEMBL28266121 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL126574 0.84 TBXAS1 (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL24704163 0.84 TBXAS1 (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL126573 0.84 TBXAS1 (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL5948110 0.81 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5948108 0.81 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMEN1

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-2022255228-A1 COMPOSITION, CURED PRODUCT OR COMPACT, OPTICAL MEMBER, AND LENS 富士フイルム株式会社 2022-12-08 WO disclosed