SCHEMBL17844146

SCHEMBL17844146

CC(C)n1sc(-c2ccccc2)c(NCCOc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR7 P34969 7/20 0.38
GPR84 Q9NQS5 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL17844247 0.81 HTR1B (0.39) HTR1BHTR1DGPR84MTNR1AMTNR1B
SCHEMBL5185824 0.79 NPBWR1 (0.43) LMNAL3MBTL1RAB9AMAPTSMN1; SMN2
SCHEMBL5197239 0.77 GSK3B (0.43) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3541635 0.75 MAPT (0.49) LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL5186747 0.74 PTPN2 (0.37) HTR1BHTR1DGPR84MTNR1AMTNR1B
SCHEMBL17844223 0.74 DRD2 (0.41) GPR84LMNAL3MBTL1NPC1RAB9A
SCHEMBL5185609 0.74 ALDH1A1 (0.43) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17844180 0.74 KDM4E (0.37) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17844238 0.73 SMN1; SMN2 (0.43) HTR1BHTR1DHTR7LMNAL3MBTL1
SCHEMBL17844226 0.73 MAPK1 (0.37) LMNAMAPTSMN1; 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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed