SCHEMBL17399264

SCHEMBL17399264

NN=Nc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
MAPT P10636 10/20 0.53
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
PLA2G1B P04054 2/20 0.46
ATG4B Q9Y4P1 2/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL17705746 0.88 ADRA2A (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8778304 0.75 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL822291 0.75 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1019410 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29648863 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL140824 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14680710 0.72 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15500779 0.71 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26852649 0.71 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13840331 0.69 MAPT (0.58) MAPTNPC1RAB9AKMT2AMEN1

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
US-9227917-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-05 US disclosed