SCHEMBL29050682

SCHEMBL29050682

CCC(=O)c1ccccc1Nc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS2 P35354 1/20 0.48
SIRT2 Q8IXJ6 5/20 0.48
FABP4 P15090 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
PTGS1 P23219 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7833897 0.88 MAPT (0.62) NPC1RAB9AMAPTALOX15GAA
SCHEMBL27727061 0.83 MAPT (0.47) NPC1RAB9AMAPTALOX15GAA
SCHEMBL4249837 0.81 FABP4 (0.71) NPC1RAB9AMAPTALOX15GAA
SCHEMBL8052123 0.81 MEN1 (0.58) NPC1RAB9AMAPTALOX15GAA
SCHEMBL15688476 0.80 SIRT2 (0.71) NPC1RAB9AMAPTGAATDP1
SCHEMBL28658698 0.79 MAPT (0.78) NPC1RAB9AMAPTALOX15GAA
SCHEMBL29050684 0.78 NPC1 (0.59) NPC1RAB9AMAPTTDP1MEN1
SCHEMBL605325 0.75 KDM4E (0.58) NPC1RAB9AMAPTGAAFABP4
SCHEMBL7959032 0.75 ALDH1A1 (0.45) NPC1RAB9AMAPTGAAKMT2A
SCHEMBL12112435 0.75 MAPT (0.58) MAPTALOX15SIRT2FABP4MEN1

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-116589406-A Preparation method of polysubstituted acridine derivative 深圳职业技术学院 2023-08-15 CN disclosed