SCHEMBL31599571

SCHEMBL31599571

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRB1 P18505 1/20 0.43
KDM1A O60341 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5168262 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL8548467 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL11753040 0.88 SMN1; SMN2 (0.48) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625933 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625934 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9644205 0.80 GABRA1 (0.42) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9645499 0.80 GABRA1 (0.42) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625935 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL25342763 0.78 GABRA1 (0.58) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL11761840 0.78 GABRA1 (0.58) PDE4APDE4BPDE4CPDE4DGABRA1

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-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed