SCHEMBL31472964

SCHEMBL31472964

CCCn1c(-c2cccc(C(=O)NO)c2)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
MAP3K7 O43318 1/20 0.57
TP53 P04637 2/20 0.56
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 3/20 0.55
HDAC1 Q13547 6/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC8 Q9BY41 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RECQL P46063 1/20 0.53
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL28608855 1.00 MAPT (0.65) MAPTMAP3K7TP53KDM4EMEN1
SCHEMBL31472999 0.93 TP53 (0.63) MAPTMAP3K7TP53KDM4EMEN1
SCHEMBL28597195 0.93 TP53 (0.63) MAPTMAP3K7TP53KDM4EMEN1
SCHEMBL31472959 0.91 HTT (0.59) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL28591480 0.91 HTT (0.59) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL31472977 0.87 KDM4E (0.61) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL28592959 0.87 KDM4E (0.61) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL31248091 0.86 MAPT (0.62) MAPTMAP3K7TP53KDM4EMEN1
SCHEMBL28605584 0.86 MAPT (0.62) MAPTMAP3K7TP53KDM4EMEN1
SCHEMBL31472990 0.84 HDAC6 (0.68) MAPTTP53KDM4EMEN1KMT2A

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