SCHEMBL31472999

SCHEMBL31472999

CCCCn1c(-c2cccc(C(=O)NO)c2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
IRAK4 Q9NWZ3 4/20 0.58
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC1 Q13547 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAP3K7 O43318 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL28597195 1.00 TP53 (0.63) TP53SMN1; SMN2IRAK4MAPTKDM4E
SCHEMBL28608855 0.93 MAPT (0.65) TP53SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL31472964 0.93 MAPT (0.65) TP53SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL31472959 0.89 HTT (0.59) TP53SMN1; SMN2IRAK4MAPTKDM4E
SCHEMBL28591480 0.89 HTT (0.59) TP53SMN1; SMN2IRAK4MAPTKDM4E
SCHEMBL28918178 0.88 TP53 (0.60) TP53SMN1; SMN2IRAK4KDM4EMEN1
SCHEMBL31472975 0.88 TP53 (0.60) TP53SMN1; SMN2IRAK4KDM4EMEN1
SCHEMBL31247978 0.87 TP53 (0.63) TP53SMN1; SMN2IRAK4MAPTKDM4E
SCHEMBL31472990 0.83 HDAC6 (0.68) TP53SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL28918736 0.83 HDAC6 (0.68) TP53SMN1; SMN2MAPTKDM4EMEN1

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-113166073-B Benzoheterocyclic compound and composition for preventing or treating cancer disease containing the same as active ingredient 启明大学校 产学协力团 2025-03-11 CN disclosed