SCHEMBL28540684

SCHEMBL28540684

CCC(=O)c1cc(O)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL15237488 0.85 KDM4E (0.49) KDM4ELMNATP53RXFP1SMN1; SMN2
SCHEMBL28536559 0.84 L3MBTL1 (0.60) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL28535854 0.83 KDM4E (0.64) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL28046850 0.83 ALOX15 (0.55) KDM4ELMNATP53RXFP1SMN1; SMN2
SCHEMBL10202038 0.81 NPC1 (0.49) KDM4ELMNATP53SMN1; SMN2KMT2A
SCHEMBL28540687 0.81 KDM4E (0.58) KDM4ELMNATP53RXFP1SMN1; SMN2
SCHEMBL30172583 0.81 KDM4E (0.64) KDM4ELMNATP53RXFP1SMN1; SMN2
SCHEMBL662652 0.81 KDM4E (0.64) KDM4ELMNATP53RXFP1SMN1; SMN2
SCHEMBL28530337 0.80 KDM4E (0.53) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL28267403 0.80 KDM4E (0.62) KDM4ELMNATP53RXFP1SMN1; SMN2

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-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed