SCHEMBL29571968

SCHEMBL29571968

Cn1c(COc2ccc(C=O)cc2)nc2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
PPARG P37231 1/20 0.58
PDE10A Q9Y233 1/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ACKR3 P25106 3/20 0.50
MAPT P10636 2/20 0.50
NSD2 O96028 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
HDAC6 Q9UBN7 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
SCHEMBL5935612 1.00 KDM4E (0.74) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL28892819 0.87 TDP1 (0.63) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL5935587 0.86 KDM4E (0.55) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6966171 0.84 RAB9A (0.72) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL5935621 0.82 KDM4E (0.54) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL5935568 0.82 HPGD (0.62) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL7013434 0.82 HPGD (0.62) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6357256 0.81 HPGD (0.61) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6357262 0.81 HPGD (0.61) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL5935598 0.81 KMT2A (0.54) KDM4EALOX15TSHRTDP1L3MBTL1

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-111285814-B Quinazolinone compound containing hydrazone structural unit or stereoisomer thereof, or salt or solvate thereof 贵州大学 2022-04-08 CN disclosed