SCHEMBL28830798

SCHEMBL28830798

CCOC(=O)c1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
NPC1 O15118 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
POLB P06746 2/20 0.67
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TRPV1 Q8NER1 2/20 0.59
PPIA P62937 1/20 0.57
GAA P10253 1/20 0.57
NAMPT P43490 1/20 0.57
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
NOTUM Q6P988 1/20 0.55
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
PABPC1 P11940 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4122858 0.84 NPC1 (0.76) MAPTNPC1MEN1KMT2APOLB
SCHEMBL828067 0.84 ALOX15 (0.71) MAPTNPC1MEN1KMT2APOLB
SCHEMBL5657576 0.83 NPC1 (0.78) MAPTNPC1MEN1KMT2APOLB
SCHEMBL31054249 0.82 NPC1 (1.00) MAPTNPC1MEN1KMT2APOLB
SCHEMBL651929 0.82 NPC1 (1.00) MAPTNPC1MEN1KMT2APOLB
SCHEMBL28830841 0.81 NPC1 (0.74) MAPTNPC1MEN1KMT2APOLB
SCHEMBL5658310 0.80 NPC1 (0.88) MAPTNPC1MEN1KMT2APOLB
SCHEMBL5816874 0.79 NPC1 (0.61) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL31054258 0.79 NPC1 (0.77) MAPTNPC1MEN1KMT2APOLB
SCHEMBL19631311 0.78 NPC1 (0.80) MAPTNPC1MEN1KMT2APOLB

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-114957117-A N-substituted-4- [3- (quinoline-6-yl) ureido ] benzoyl hydrazine derivative and preparation method and application thereof 浙江师范大学行知学院 2022-08-30 CN disclosed