SCHEMBL822291

SCHEMBL822291

N=Nc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
CYP3A4 P08684 3/20 0.48
MAPT P10636 7/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL19073039 0.87 ADRA2A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8778304 0.78 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15500779 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17399264 0.75 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29648863 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL140824 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1019410 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9460419 0.71 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15782947 0.69 SMN1; SMN2 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14342503 0.69 MIF (0.62) CYP3A4MAPTCYP1A2GAAALDH1A1

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
EP-2190912-B1 SILANE COUPLING AGENTS FOR FILLED RUBBERS BASF SE (DE) 2011-11-23 EP disclosed