SCHEMBL25323150

SCHEMBL25323150

CN1CCOC(c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3s2)C1.CN1CCOC(c2nc3cc(Cl)ccc3s2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
EGFR P00533 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SNCA P37840 1/20 0.32
DRD4 P21917 2/20 0.31
MAPT P10636 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL25323670 0.94 SNCA (0.34) SNCA
SCHEMBL30322970 0.94 SNCA (0.34) SNCA
SCHEMBL24365153 0.87 NPC1 (0.46) NPC1RAB9ADRD3DRD2HTR1A
SCHEMBL31145106 0.87 NPC1 (0.46) NPC1RAB9ADRD3DRD2HTR1A
SCHEMBL25322458 0.84 NPC1 (0.46) NPC1RAB9ADRD3DRD2HTR1A
SCHEMBL24364822 0.80 SNCA (0.35) NPC1RAB9ADRD2SMN1; SMN2NPSR1
SCHEMBL25322583 0.80 NPC1 (0.43) NPC1RAB9ADRD3DRD2HTR1A
SCHEMBL25319879 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NPSR1CNR2
SCHEMBL25320553 0.79 NPC1 (0.44) NPC1RAB9ADRD3DRD2HTR1A
SCHEMBL24363858 0.78 NPC1 (0.39) NPC1RAB9ADRD2SMN1; SMN2NPSR1

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed